1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide

C14H24N2O2 — CID 106173550

IUPAC1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-3-13(2,9-10-17)16-12(18)14(11-15)7-5-4-6-8-14/h17H,3-10H2,1-2H3,(H,16,18)
InChIKeyOHVKFTGZSRKWOJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.13
Rot. Bonds5

About 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide

1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide (PubChem CID 106173550) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide
PubChem CID106173550
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-3-13(2,9-10-17)16-12(18)14(11-15)7-5-4-6-8-14/h17H,3-10H2,1-2H3,(H,16,18)
InChIKeyOHVKFTGZSRKWOJ-UHFFFAOYSA-N
XLogP2.13
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
CID 65043719
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 113471745
1-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]cycloheptane-1-carboxamide
CID 107853097
2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide
CID 113488783
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide (CID 106173550) is 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide is CCC(C)(CCO)NC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is OHVKFTGZSRKWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-13(2,9-10-17)16-12(18)14(11-15)7-5-4-6-8-14/h17H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide?
1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106173550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).