2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide

C17H32N2O — CID 106592635

IUPAC2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)C1CCCC(N)C1)C1CCCCC1
InChIInChI=1S/C17H32N2O/c1-3-19(16-10-5-4-6-11-16)17(20)13(2)14-8-7-9-15(18)12-14/h13-16H,3-12,18H2,1-2H3
InChIKeyZNDUPLFPWGAHQZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.32
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide

2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide (PubChem CID 106592635) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
PubChem CID106592635
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)C1CCCC(N)C1)C1CCCCC1
InChIInChI=1S/C17H32N2O/c1-3-19(16-10-5-4-6-11-16)17(20)13(2)14-8-7-9-15(18)12-14/h13-16H,3-12,18H2,1-2H3
InChIKeyZNDUPLFPWGAHQZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpropanamide
CID 106592765
2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
CID 106592908
2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
CID 106592670
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 106592776
2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
CID 106593084
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide
CID 106592757
3-amino-N-cyclohexyl-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119674160
2-bromo-N-cyclohexyl-N-ethylpropanamide
CID 82110731
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
CID 56831854
2-amino-N-cyclohexyl-N-ethylbutanamide
CID 43649420

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide (CID 106592635) is 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide is CCN(C(=O)C(C)C1CCCC(N)C1)C1CCCCC1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide?
The InChIKey is ZNDUPLFPWGAHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-19(16-10-5-4-6-11-16)17(20)13(2)14-8-7-9-15(18)12-14/h13-16H,3-12,18H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide?
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide has a molecular weight of 280.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide is sourced from PubChem (CID 106592635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).