N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide

C14H27NO2 — CID 113351776

IUPACN-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCCCCCO)CC1
InChIInChI=1S/C14H27NO2/c1-12-6-8-13(9-7-12)14(17)15-10-4-2-3-5-11-16/h12-13,16H,2-11H2,1H3,(H,15,17)
InChIKeyXDGKCXYQFPUSFZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds7

About N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide

N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 113351776) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
PubChem CID113351776
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCCCCCO)CC1
InChIInChI=1S/C14H27NO2/c1-12-6-8-13(9-7-12)14(17)15-10-4-2-3-5-11-16/h12-13,16H,2-11H2,1H3,(H,15,17)
InChIKeyXDGKCXYQFPUSFZ-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-[2-(6-hydroxyhexylamino)ethyl]cyclopropanecarboxamide
CID 103738634
hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium
CID 153224944
iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
CID 144908622
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
CID 106307018
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106843014
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide (CID 113351776) is N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NCCCCCCO)CC1.
What is the InChIKey of N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is XDGKCXYQFPUSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-6-8-13(9-7-12)14(17)15-10-4-2-3-5-11-16/h12-13,16H,2-11H2,1H3,(H,15,17).
What are the key properties of N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide?
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 113351776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).