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Chemical ID: 6523747

Chemical ID:

6523747

Name [?]:

N-[2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl]benzamide

SMILES [?]:

c1ccc(cc1)C(=O)NCC[NH+]2CCCCC2

InChi [?]:

InChI=1/C14H20N2O/c17-14(13-7-3-1-4-8-13)15-9-12-16-10-5-2-6-11-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)/p+1

InChi Info:

AuxInfo=1/1/N:1,15,2,6,14,16,3,5,10,13,17,11,4,7,9,12,8/E:(3,4)(5,6)(7,8)(10,11)/rA:17nCCCCCCCONCCN+CCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁N₂O+
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.4579
Area:	441.974
Solvation:	-31.5073
Coulombic:	6.5402

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	233.329
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.14
LogP (Chemaxon):	1.65

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value