2-hexyl-4-methylcyclohexan-1-amine

C13H27N — CID 55221311

IUPAC2-hexyl-4-methylcyclohexan-1-amine
SMILESCCCCCCC1CC(C)CCC1N
InChIInChI=1S/C13H27N/c1-3-4-5-6-7-12-10-11(2)8-9-13(12)14/h11-13H,3-10,14H2,1-2H3
InChIKeyYSUQYMJZYZOGGI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds5

About 2-hexyl-4-methylcyclohexan-1-amine

2-hexyl-4-methylcyclohexan-1-amine (PubChem CID 55221311) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-hexyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-hexyl-4-methylcyclohexan-1-amine
PubChem CID55221311
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-hexyl-4-methylcyclohexan-1-amine
SMILESCCCCCCC1CC(C)CCC1N
InChIInChI=1S/C13H27N/c1-3-4-5-6-7-12-10-11(2)8-9-13(12)14/h11-13H,3-10,14H2,1-2H3
InChIKeyYSUQYMJZYZOGGI-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.72
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

2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
1-bromo-2-dodecyl-4-methylcyclohexane
CID 63472034
3-dodecyl-2-methylcyclopentan-1-amine
CID 64908094
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
2-dodecylcyclohexan-1-amine
CID 63400047
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-heptylcyclohexan-1-amine
CID 23132318
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-hexyl-2-undecylcyclopropane
CID 58049498

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-hexyl-4-methylcyclohexan-1-amine (CID 55221311) is 2-hexyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-hexyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-hexyl-4-methylcyclohexan-1-amine is CCCCCCC1CC(C)CCC1N.
What is the InChIKey of 2-hexyl-4-methylcyclohexan-1-amine?
The InChIKey is YSUQYMJZYZOGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-4-5-6-7-12-10-11(2)8-9-13(12)14/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 2-hexyl-4-methylcyclohexan-1-amine?
2-hexyl-4-methylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55221311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).