1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide

C15H26N2O2 — CID 106161672

IUPAC1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
SMILESCC(CO)CCCNC(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C15H26N2O2/c1-13(11-18)7-6-10-17-14(19)15(12-16)8-4-2-3-5-9-15/h13,18H,2-11H2,1H3,(H,17,19)
InChIKeyJTPWJOJJKKBPPN-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.38
Rot. Bonds6

About 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide

1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide (PubChem CID 106161672) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
PubChem CID106161672
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
SMILESCC(CO)CCCNC(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C15H26N2O2/c1-13(11-18)7-6-10-17-14(19)15(12-16)8-4-2-3-5-9-15/h13,18H,2-11H2,1H3,(H,17,19)
InChIKeyJTPWJOJJKKBPPN-UHFFFAOYSA-N
XLogP2.38
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 62404207
1-cyano-N-(3-cyclopropylpropyl)cyclopentane-1-carboxamide
CID 115635940
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
CID 78994466
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide (CID 106161672) is 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide is CC(CO)CCCNC(=O)C1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide?
The InChIKey is JTPWJOJJKKBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(11-18)7-6-10-17-14(19)15(12-16)8-4-2-3-5-9-15/h13,18H,2-11H2,1H3,(H,17,19).
What are the key properties of 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide?
1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 106161672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).