2-cyclopentyloctan-1-amine

C13H27N — CID 112569591

IUPAC2-cyclopentyloctan-1-amine
SMILESCCCCCCC(CN)C1CCCC1
InChIInChI=1S/C13H27N/c1-2-3-4-5-10-13(11-14)12-8-6-7-9-12/h12-13H,2-11,14H2,1H3
InChIKeyRUJAJWIAWLZYIF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds7

About 2-cyclopentyloctan-1-amine

2-cyclopentyloctan-1-amine (PubChem CID 112569591) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-cyclopentyloctan-1-amine.

Molecular Properties

Compound Name2-cyclopentyloctan-1-amine
PubChem CID112569591
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-cyclopentyloctan-1-amine
SMILESCCCCCCC(CN)C1CCCC1
InChIInChI=1S/C13H27N/c1-2-3-4-5-10-13(11-14)12-8-6-7-9-12/h12-13H,2-11,14H2,1H3
InChIKeyRUJAJWIAWLZYIF-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.72
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

hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
nonan-3-ylcyclopentane
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1-chlorododecan-2-ylcyclopentane
CID 112570395
1-bromodecan-2-ylcyclopentane
CID 112570528
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
1-cycloheptylheptan-1-amine
CID 65399314
CID 22214511
CID 22214511
1-cycloheptyldecylcycloheptane
CID 20559033

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloctan-1-amine?
The IUPAC name of 2-cyclopentyloctan-1-amine (CID 112569591) is 2-cyclopentyloctan-1-amine.
What is the SMILES notation for 2-cyclopentyloctan-1-amine?
The canonical SMILES for 2-cyclopentyloctan-1-amine is CCCCCCC(CN)C1CCCC1.
What is the InChIKey of 2-cyclopentyloctan-1-amine?
The InChIKey is RUJAJWIAWLZYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-2-3-4-5-10-13(11-14)12-8-6-7-9-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 2-cyclopentyloctan-1-amine?
2-cyclopentyloctan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloctan-1-amine is sourced from PubChem (CID 112569591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).