N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide

C15H26N2O — CID 107178540

IUPACN-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCC(C#N)(CC)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H26N2O/c1-5-15(6-2,11-16)17-13(18)12-9-7-8-10-14(12,3)4/h12H,5-10H2,1-4H3,(H,17,18)
InChIKeyYMCPTRKFWRRFDO-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.40
Rot. Bonds4

About N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide

N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107178540) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107178540
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCC(C#N)(CC)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H26N2O/c1-5-15(6-2,11-16)17-13(18)12-9-7-8-10-14(12,3)4/h12H,5-10H2,1-4H3,(H,17,18)
InChIKeyYMCPTRKFWRRFDO-UHFFFAOYSA-N
XLogP3.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-(1,1-dimethylethyl)-5-methyl-2-(1-methylethyl)-
CID 170238
N-(1-cyanocyclopropyl)cyclohexanecarboxamide
CID 68559496
4-(2-Cyano-2-dimethylpropyl)-6,6-dimethyl-2-piperidone
CID 129789389
4-(2-Cyano-2-methylpropyl)-6,6-dimethyl-2-piperidone
CID 129789812
N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide
CID 166447587
N-(2-cyanobutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622137
N-(3-cyanopentan-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622138
N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113433971
(1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide
CID 142979866
2-{bicyclo[2.2.1]heptan-2-yl}-N-(1-cyano-1,2-dimethylpropyl)acetamide
CID 45844309
EA79Cjs5UQ
CID 11622820
N-tert-butyl-2-methylcyclohexane-1-carboxamide
CID 13527869

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107178540) is N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide is CCC(C#N)(CC)NC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is YMCPTRKFWRRFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-15(6-2,11-16)17-13(18)12-9-7-8-10-14(12,3)4/h12H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107178540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).