N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide

C13H25NO2 — CID 107180369

IUPACN-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(O)CCNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-10(15)7-9-14-12(16)11-6-4-5-8-13(11,2)3/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyCDKSZILBDWVTKR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds4

About N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107180369) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107180369
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(O)CCNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-10(15)7-9-14-12(16)11-6-4-5-8-13(11,2)3/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyCDKSZILBDWVTKR-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 106131588
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
CID 107182865
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180430
N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184547
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184694
N-(4-bromobutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184530
N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370
N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184110

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107180369) is N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide is CC(O)CCNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is CDKSZILBDWVTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(15)7-9-14-12(16)11-6-4-5-8-13(11,2)3/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).