N-methyl-5-(4-methylcyclohexyl)pentan-1-amine

C13H27N — CID 91473840

IUPACN-methyl-5-(4-methylcyclohexyl)pentan-1-amine
SMILESCNCCCCCC1CCC(C)CC1
InChIInChI=1S/C13H27N/c1-12-7-9-13(10-8-12)6-4-3-5-11-14-2/h12-14H,3-11H2,1-2H3
InChIKeyTXUQLWQEZXNJFV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds6

About N-methyl-5-(4-methylcyclohexyl)pentan-1-amine

N-methyl-5-(4-methylcyclohexyl)pentan-1-amine (PubChem CID 91473840) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-5-(4-methylcyclohexyl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(4-methylcyclohexyl)pentan-1-amine
PubChem CID91473840
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-5-(4-methylcyclohexyl)pentan-1-amine
SMILESCNCCCCCC1CCC(C)CC1
InChIInChI=1S/C13H27N/c1-12-7-9-13(10-8-12)6-4-3-5-11-14-2/h12-14H,3-11H2,1-2H3
InChIKeyTXUQLWQEZXNJFV-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-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine
CID 156519662
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
N-methyl-3-(3-methylcyclobutyl)propan-1-amine
CID 119055096
3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
CID 75530738
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
4-cyclopropyl-N-propylbutan-1-amine
CID 57222613
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylcyclohexyl)pentan-1-amine?
The IUPAC name of N-methyl-5-(4-methylcyclohexyl)pentan-1-amine (CID 91473840) is N-methyl-5-(4-methylcyclohexyl)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(4-methylcyclohexyl)pentan-1-amine?
The canonical SMILES for N-methyl-5-(4-methylcyclohexyl)pentan-1-amine is CNCCCCCC1CCC(C)CC1.
What is the InChIKey of N-methyl-5-(4-methylcyclohexyl)pentan-1-amine?
The InChIKey is TXUQLWQEZXNJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12-7-9-13(10-8-12)6-4-3-5-11-14-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-methyl-5-(4-methylcyclohexyl)pentan-1-amine?
N-methyl-5-(4-methylcyclohexyl)pentan-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-methyl-5-(4-methylcyclohexyl)pentan-1-amine is sourced from PubChem (CID 91473840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).