6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide

C14H25N3O — CID 65291034

IUPAC6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NC1CCCC1C#N
InChIInChI=1S/C14H25N3O/c1-14(2,8-9-15)7-6-13(18)17-12-5-3-4-11(12)10-16/h11-12H,3-9,15H2,1-2H3,(H,17,18)
InChIKeyLLTQGHDHWKZVQR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.95
Rot. Bonds6

About 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide

6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide (PubChem CID 65291034) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide
PubChem CID65291034
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NC1CCCC1C#N
InChIInChI=1S/C14H25N3O/c1-14(2,8-9-15)7-6-13(18)17-12-5-3-4-11(12)10-16/h11-12H,3-9,15H2,1-2H3,(H,17,18)
InChIKeyLLTQGHDHWKZVQR-UHFFFAOYSA-N
XLogP1.95
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356
6-amino-4,4-dimethyl-N-(2-methylsulfanylcyclopentyl)hexanamide
CID 114121464
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
N-(2-cyanocyclopentyl)-2-cyclopentylacetamide
CID 62961621
6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide
CID 65472003
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
6-amino-4,4-dimethyl-N-(oxan-3-yl)hexanamide
CID 65291525
4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
CID 63323965
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
2-(4-aminopiperidin-1-yl)-N-(2-cyanocyclopentyl)acetamide
CID 79327886

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide (CID 65291034) is 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)NC1CCCC1C#N.
What is the InChIKey of 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide?
The InChIKey is LLTQGHDHWKZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,8-9-15)7-6-13(18)17-12-5-3-4-11(12)10-16/h11-12H,3-9,15H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide?
6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide has a molecular weight of 251.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 65291034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).