2-(3-aminocyclohexyl)-N,N-dibutylpropanamide

C17H34N2O — CID 106592670

IUPAC2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C17H34N2O/c1-4-6-11-19(12-7-5-2)17(20)14(3)15-9-8-10-16(18)13-15/h14-16H,4-13,18H2,1-3H3
InChIKeyPZSZHWXGKQEZQV-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.57
Rot. Bonds8

About 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide

2-(3-aminocyclohexyl)-N,N-dibutylpropanamide (PubChem CID 106592670) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
PubChem CID106592670
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C17H34N2O/c1-4-6-11-19(12-7-5-2)17(20)14(3)15-9-8-10-16(18)13-15/h14-16H,4-13,18H2,1-3H3
InChIKeyPZSZHWXGKQEZQV-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide
CID 106592757
2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 106593074
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 106592776
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
CID 106592908
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
CID 106593084
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpropanamide
CID 106592765
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841
(1S)-1-[(1R,3S)-3-aminocyclohexyl]-1-hydroxypropan-2-one
CID 167029104
2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 106592894
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide
CID 55117109

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide (CID 106592670) is 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide is CCCCN(CCCC)C(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide?
The InChIKey is PZSZHWXGKQEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-6-11-19(12-7-5-2)17(20)14(3)15-9-8-10-16(18)13-15/h14-16H,4-13,18H2,1-3H3.
What are the key properties of 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide?
2-(3-aminocyclohexyl)-N,N-dibutylpropanamide has a molecular weight of 282.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N,N-dibutylpropanamide is sourced from PubChem (CID 106592670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).