2-cyclopentyl-N-propyldecan-1-amine

C18H37N — CID 112569910

IUPAC2-cyclopentyl-N-propyldecan-1-amine
SMILESCCCCCCCCC(CNCCC)C1CCCC1
InChIInChI=1S/C18H37N/c1-3-5-6-7-8-9-14-18(16-19-15-4-2)17-12-10-11-13-17/h17-19H,3-16H2,1-2H3
InChIKeyNVTGTMCBDLMALO-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.54
Rot. Bonds12

About 2-cyclopentyl-N-propyldecan-1-amine

2-cyclopentyl-N-propyldecan-1-amine (PubChem CID 112569910) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-propyldecan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-propyldecan-1-amine
PubChem CID112569910
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2-cyclopentyl-N-propyldecan-1-amine
SMILESCCCCCCCCC(CNCCC)C1CCCC1
InChIInChI=1S/C18H37N/c1-3-5-6-7-8-9-14-18(16-19-15-4-2)17-12-10-11-13-17/h17-19H,3-16H2,1-2H3
InChIKeyNVTGTMCBDLMALO-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.54
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-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-(2-methoxyethyl)octan-1-amine
CID 112570187
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
hexadecan-8-ylcyclohexane
CID 91510029
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
undecan-5-ylcyclohexane
CID 524419
nonan-3-ylcyclopentane
CID 19893531
2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928
2-cyclopentyl-4-methyl-N-propylheptan-1-amine
CID 112569912
1-chlorododecan-2-ylcyclopentane
CID 112570395
1-bromodecan-2-ylcyclopentane
CID 112570528

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-propyldecan-1-amine?
The IUPAC name of 2-cyclopentyl-N-propyldecan-1-amine (CID 112569910) is 2-cyclopentyl-N-propyldecan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-propyldecan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-propyldecan-1-amine is CCCCCCCCC(CNCCC)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-propyldecan-1-amine?
The InChIKey is NVTGTMCBDLMALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-5-6-7-8-9-14-18(16-19-15-4-2)17-12-10-11-13-17/h17-19H,3-16H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-propyldecan-1-amine?
2-cyclopentyl-N-propyldecan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-propyldecan-1-amine is sourced from PubChem (CID 112569910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).