N-(cyclohexylmethyl)-4-methylpentan-1-amine

C13H27N — CID 60743779

IUPACN-(cyclohexylmethyl)-4-methylpentan-1-amine
SMILESCC(C)CCCNCC1CCCCC1
InChIInChI=1S/C13H27N/c1-12(2)7-6-10-14-11-13-8-4-3-5-9-13/h12-14H,3-11H2,1-2H3
InChIKeyORVVVBCPJSZHKW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds6

About N-(cyclohexylmethyl)-4-methylpentan-1-amine

N-(cyclohexylmethyl)-4-methylpentan-1-amine (PubChem CID 60743779) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methylpentan-1-amine
PubChem CID60743779
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(cyclohexylmethyl)-4-methylpentan-1-amine
SMILESCC(C)CCCNCC1CCCCC1
InChIInChI=1S/C13H27N/c1-12(2)7-6-10-14-11-13-8-4-3-5-9-13/h12-14H,3-11H2,1-2H3
InChIKeyORVVVBCPJSZHKW-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
4-chloro-N-(cyclohexylmethyl)pentan-1-amine
CID 106122000
4-chloro-N-(cyclopentylmethyl)pentan-1-amine
CID 106122016
[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
CID 83156139
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
3-[(4-methylpentylamino)methyl]cyclobutan-1-amine
CID 115214235
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methylpentan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-methylpentan-1-amine (CID 60743779) is N-(cyclohexylmethyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methylpentan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-methylpentan-1-amine is CC(C)CCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methylpentan-1-amine?
The InChIKey is ORVVVBCPJSZHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2)7-6-10-14-11-13-8-4-3-5-9-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-methylpentan-1-amine?
N-(cyclohexylmethyl)-4-methylpentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 60743779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).