2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide

C17H32N2O — CID 107472164

IUPAC2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
SMILESCN(CC1CC2CCC1C2)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H32N2O/c1-17(2,3)9-15(10-18)16(20)19(4)11-14-8-12-5-6-13(14)7-12/h12-15H,5-11,18H2,1-4H3
InChIKeyHLFXJBSWWDYCHF-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.89
Rot. Bonds5

About 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide

2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide (PubChem CID 107472164) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
PubChem CID107472164
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
SMILESCN(CC1CC2CCC1C2)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H32N2O/c1-17(2,3)9-15(10-18)16(20)19(4)11-14-8-12-5-6-13(14)7-12/h12-15H,5-11,18H2,1-4H3
InChIKeyHLFXJBSWWDYCHF-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
CID 107472079
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 63681786
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylbutanamide
CID 63681740
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide
CID 103155894
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
CID 63683339
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide
CID 103029139
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide
CID 55233234
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 66339070

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide (CID 107472164) is 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide is CN(CC1CC2CCC1C2)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide?
The InChIKey is HLFXJBSWWDYCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(2,3)9-15(10-18)16(20)19(4)11-14-8-12-5-6-13(14)7-12/h12-15H,5-11,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide?
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide has a molecular weight of 280.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 107472164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).