2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide

C17H32N2O — CID 115432159

IUPAC2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C17H32N2O/c1-3-17(4-2,13-18)16(20)19(15-10-11-15)12-14-8-6-5-7-9-14/h14-15H,3-13,18H2,1-2H3
InChIKeyNFVSMINEHLDNHM-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.32
Rot. Bonds7

About 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide

2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide (PubChem CID 115432159) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
PubChem CID115432159
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C17H32N2O/c1-3-17(4-2,13-18)16(20)19(15-10-11-15)12-14-8-6-5-7-9-14/h14-15H,3-13,18H2,1-2H3
InChIKeyNFVSMINEHLDNHM-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 61264857
2-(aminomethyl)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-ethylbutanamide
CID 115432203
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
propyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate
CID 112738754
2,2,2-trifluoroethyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate
CID 61066671
2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide
CID 55227786
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
CID 54876535
2-amino-N-(cyclohexylmethyl)-2-ethyl-N-methylbutanamide
CID 79812390
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 54873047

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide (CID 115432159) is 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide is CCC(CC)(CN)C(=O)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide?
The InChIKey is NFVSMINEHLDNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-17(4-2,13-18)16(20)19(15-10-11-15)12-14-8-6-5-7-9-14/h14-15H,3-13,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide?
2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide has a molecular weight of 280.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide is sourced from PubChem (CID 115432159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).