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Chemical ID: 6491166

Chemical ID:

6491166

Name [?]:

tert-butyl-[(2,4,6-trimethylphenyl)carbamoylmethyl]ammonium

SMILES [?]:

Cc1cc(c(c(c1)C)NC(=O)C[NH2+]C(C)(C)C)C

InChi [?]:

InChI=1/C15H24N2O/c1-10-7-11(2)14(12(3)8-10)17-13(18)9-16-15(4,5)6/h7-8,16H,9H2,1-6H3,(H,17,18)/p+1

InChi Info:

AuxInfo=1/1/N:1,8,18,15,16,17,7,3,12,2,6,4,10,5,14,13,9,11/E:(2,3)(4,5,6)(7,8)(11,12)/rA:18nCCCCCCCCNCOCN+CCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₅N₂O+
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-21.9658
Area:	459.82
Solvation:	-33.4613
Coulombic:	16.0499

Bond Count [?]

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

Chemical Properties

Molecular Weight:	249.372
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	2.75
LogP (Chemaxon):	1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value