2-cyclopentyl-N-propan-2-yloctan-1-amine

C16H33N — CID 112569984

IUPAC2-cyclopentyl-N-propan-2-yloctan-1-amine
SMILESCCCCCCC(CNC(C)C)C1CCCC1
InChIInChI=1S/C16H33N/c1-4-5-6-7-12-16(13-17-14(2)3)15-10-8-9-11-15/h14-17H,4-13H2,1-3H3
InChIKeyCECAAPKHIFYOFQ-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds9

About 2-cyclopentyl-N-propan-2-yloctan-1-amine

2-cyclopentyl-N-propan-2-yloctan-1-amine (PubChem CID 112569984) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-propan-2-yloctan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-propan-2-yloctan-1-amine
PubChem CID112569984
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-cyclopentyl-N-propan-2-yloctan-1-amine
SMILESCCCCCCC(CNC(C)C)C1CCCC1
InChIInChI=1S/C16H33N/c1-4-5-6-7-12-16(13-17-14(2)3)15-10-8-9-11-15/h14-17H,4-13H2,1-3H3
InChIKeyCECAAPKHIFYOFQ-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
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-methyldodecan-1-amine
CID 112569791
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
nonan-3-ylcyclopentane
CID 19893531
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
1-chlorododecan-2-ylcyclopentane
CID 112570395
2-cyclopentyloctan-1-amine
CID 112569591
1-bromodecan-2-ylcyclopentane
CID 112570528
2-cyclopentyl-N-(2-methoxyethyl)octan-1-amine
CID 112570187
2,4-dicyclopentyl-N-propan-2-ylbutan-1-amine
CID 114192567
2-cyclopentyl-4-methyl-N-propan-2-ylhexan-1-amine
CID 112569973

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-propan-2-yloctan-1-amine?
The IUPAC name of 2-cyclopentyl-N-propan-2-yloctan-1-amine (CID 112569984) is 2-cyclopentyl-N-propan-2-yloctan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-propan-2-yloctan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-propan-2-yloctan-1-amine is CCCCCCC(CNC(C)C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-propan-2-yloctan-1-amine?
The InChIKey is CECAAPKHIFYOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-5-6-7-12-16(13-17-14(2)3)15-10-8-9-11-15/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-cyclopentyl-N-propan-2-yloctan-1-amine?
2-cyclopentyl-N-propan-2-yloctan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-propan-2-yloctan-1-amine is sourced from PubChem (CID 112569984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).