2-cyclohexyl-N-propylpentan-1-amine

C14H29N — CID 82932453

IUPAC2-cyclohexyl-N-propylpentan-1-amine
SMILESCCCNCC(CCC)C1CCCCC1
InChIInChI=1S/C14H29N/c1-3-8-14(12-15-11-4-2)13-9-6-5-7-10-13/h13-15H,3-12H2,1-2H3
InChIKeyHKJNODHRWAEQOT-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds7

About 2-cyclohexyl-N-propylpentan-1-amine

2-cyclohexyl-N-propylpentan-1-amine (PubChem CID 82932453) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-propylpentan-1-amine
PubChem CID82932453
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-cyclohexyl-N-propylpentan-1-amine
SMILESCCCNCC(CCC)C1CCCCC1
InChIInChI=1S/C14H29N/c1-3-8-14(12-15-11-4-2)13-9-6-5-7-10-13/h13-15H,3-12H2,1-2H3
InChIKeyHKJNODHRWAEQOT-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
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-cyclopentyl-4-methyl-N-propylheptan-1-amine
CID 112569912
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928
2-cyclopentyl-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323935
2-cycloheptyl-N-methylpentan-1-amine
CID 82932063
2-cycloheptyl-4-(propylamino)butan-1-ol
CID 165467756
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
2-cyclopropyl-4-methyl-N-propylpentan-1-amine
CID 104819242

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-propylpentan-1-amine?
The IUPAC name of 2-cyclohexyl-N-propylpentan-1-amine (CID 82932453) is 2-cyclohexyl-N-propylpentan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-propylpentan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-propylpentan-1-amine is CCCNCC(CCC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-propylpentan-1-amine?
The InChIKey is HKJNODHRWAEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-8-14(12-15-11-4-2)13-9-6-5-7-10-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-propylpentan-1-amine?
2-cyclohexyl-N-propylpentan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-propylpentan-1-amine is sourced from PubChem (CID 82932453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).