N-methyl-2-octylcyclohexan-1-amine

C15H31N — CID 63400173

IUPACN-methyl-2-octylcyclohexan-1-amine
SMILESCCCCCCCCC1CCCCC1NC
InChIInChI=1S/C15H31N/c1-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16-2/h14-16H,3-13H2,1-2H3
InChIKeyVZQISYFJYHYUNK-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.52
Rot. Bonds8

About N-methyl-2-octylcyclohexan-1-amine

N-methyl-2-octylcyclohexan-1-amine (PubChem CID 63400173) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-methyl-2-octylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-octylcyclohexan-1-amine
PubChem CID63400173
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-methyl-2-octylcyclohexan-1-amine
SMILESCCCCCCCCC1CCCCC1NC
InChIInChI=1S/C15H31N/c1-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16-2/h14-16H,3-13H2,1-2H3
InChIKeyVZQISYFJYHYUNK-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.52
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-butyl-N-methylcyclohexan-1-amine;propan-1-ol
CID 71071796
N,N'-bis(2-hexylcyclohexyl)methanediamine
CID 175881846
butan-1-ol;2-butyl-N-methylcycloheptan-1-amine
CID 71071246
[(1R,2R)-2-heptylcyclopentyl]hydrazine
CID 124537502
N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
2-(4-methoxybutyl)-N-methylcyclohexan-1-amine
CID 104648337
N-methyl-2-(4-methylpentyl)cyclohexan-1-amine
CID 83159039
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-octylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-octylcyclohexan-1-amine (CID 63400173) is N-methyl-2-octylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-octylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-octylcyclohexan-1-amine is CCCCCCCCC1CCCCC1NC.
What is the InChIKey of N-methyl-2-octylcyclohexan-1-amine?
The InChIKey is VZQISYFJYHYUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16-2/h14-16H,3-13H2,1-2H3.
What are the key properties of N-methyl-2-octylcyclohexan-1-amine?
N-methyl-2-octylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-octylcyclohexan-1-amine is sourced from PubChem (CID 63400173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).