3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide

C16H26N2O — CID 115161209

IUPAC3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
SMILESCC(C)CC(C)(C)CNC(=O)c1cccc(CN)c1
InChIInChI=1S/C16H26N2O/c1-12(2)9-16(3,4)11-18-15(19)14-7-5-6-13(8-14)10-17/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyTVFUCPYWFZQZER-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.95
Rot. Bonds6

About 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide

3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide (PubChem CID 115161209) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
PubChem CID115161209
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
SMILESCC(C)CC(C)(C)CNC(=O)c1cccc(CN)c1
InChIInChI=1S/C16H26N2O/c1-12(2)9-16(3,4)11-18-15(19)14-7-5-6-13(8-14)10-17/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyTVFUCPYWFZQZER-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide
CID 115160955
3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289370
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61240501
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
CID 55261527

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide (CID 115161209) is 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide is CC(C)CC(C)(C)CNC(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide?
The InChIKey is TVFUCPYWFZQZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-16(3,4)11-18-15(19)14-7-5-6-13(8-14)10-17/h5-8,12H,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide?
3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide has a molecular weight of 262.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide is sourced from PubChem (CID 115161209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).