4-methyl-2-pentyl-N-propylcyclohexan-1-amine

C15H31N — CID 63403659

IUPAC4-methyl-2-pentyl-N-propylcyclohexan-1-amine
SMILESCCCCCC1CC(C)CCC1NCCC
InChIInChI=1S/C15H31N/c1-4-6-7-8-14-12-13(3)9-10-15(14)16-11-5-2/h13-16H,4-12H2,1-3H3
InChIKeySFSCGINQQUFVGG-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds7

About 4-methyl-2-pentyl-N-propylcyclohexan-1-amine

4-methyl-2-pentyl-N-propylcyclohexan-1-amine (PubChem CID 63403659) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-methyl-2-pentyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-pentyl-N-propylcyclohexan-1-amine
PubChem CID63403659
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-methyl-2-pentyl-N-propylcyclohexan-1-amine
SMILESCCCCCC1CC(C)CCC1NCCC
InChIInChI=1S/C15H31N/c1-4-6-7-8-14-12-13(3)9-10-15(14)16-11-5-2/h13-16H,4-12H2,1-3H3
InChIKeySFSCGINQQUFVGG-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
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

4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616677
3-hexyl-N-propyloxan-4-amine
CID 106469429
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
2-butyl-4-phenyl-N-propylcyclohexan-1-amine
CID 63401101
2-decyl-N,4-diethylcyclohexan-1-amine
CID 63403278

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-pentyl-N-propylcyclohexan-1-amine (CID 63403659) is 4-methyl-2-pentyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-pentyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-pentyl-N-propylcyclohexan-1-amine is CCCCCC1CC(C)CCC1NCCC.
What is the InChIKey of 4-methyl-2-pentyl-N-propylcyclohexan-1-amine?
The InChIKey is SFSCGINQQUFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-6-7-8-14-12-13(3)9-10-15(14)16-11-5-2/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-methyl-2-pentyl-N-propylcyclohexan-1-amine?
4-methyl-2-pentyl-N-propylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63403659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).