3-(2-methylpropyl)-N-pentylcyclohexan-1-amine

C15H31N — CID 107427844

IUPAC3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
SMILESCCCCCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C15H31N/c1-4-5-6-10-16-15-9-7-8-14(12-15)11-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyMKLBWERCCHLWAO-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds7

About 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine

3-(2-methylpropyl)-N-pentylcyclohexan-1-amine (PubChem CID 107427844) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
PubChem CID107427844
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
SMILESCCCCCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C15H31N/c1-4-5-6-10-16-15-9-7-8-14(12-15)11-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyMKLBWERCCHLWAO-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

N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
N-hexyl-3-propan-2-ylcyclohexan-1-amine
CID 107447898
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
3-cyclopropyl-N-pentylcyclohexan-1-amine
CID 64596400
3-(2-methylpropyl)-N-(2-prop-2-ynylsulfanylethyl)cyclohexan-1-amine
CID 114187361
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
CID 106284636
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine (CID 107427844) is 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine is CCCCCNC1CCCC(CC(C)C)C1.
What is the InChIKey of 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine?
The InChIKey is MKLBWERCCHLWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-5-6-10-16-15-9-7-8-14(12-15)11-13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine?
3-(2-methylpropyl)-N-pentylcyclohexan-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 3-(2-methylpropyl)-N-pentylcyclohexan-1-amine is sourced from PubChem (CID 107427844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).