Chemical ID: 4122153

c1cc(cnc1)CNCCCN2CCOCC2
Chemical ID:
4122153
Name [?]:
3-morpholino-N-(3-pyridylmethyl)propan-1-amine
SMILES [?]:
c1cc(cnc1)CNCCCN2CCOCC2
InChi [?]:
InChI=1/C13H21N3O/c1-3-13(11-14-4-1)12-15-5-2-6-16-7-9-17-10-8-16/h1,3-4,11,15H,2,5-10,12H2
InChi Info:
AuxInfo=1/0/N:1,10,2,6,9,11,13,17,14,16,4,7,3,5,8,12,15/E:(7,8)(9,10)/rA:17nCCCCNCCNCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.72095
Area:453.652
Solvation:-3.62035
Coulombic:-26.0771
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.325
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.09
LogP (Chemaxon):-0.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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