N-(3-cyclopentylpropyl)heptan-2-amine

C15H31N — CID 106008711

IUPACN-(3-cyclopentylpropyl)heptan-2-amine
SMILESCCCCCC(C)NCCCC1CCCC1
InChIInChI=1S/C15H31N/c1-3-4-5-9-14(2)16-13-8-12-15-10-6-7-11-15/h14-16H,3-13H2,1-2H3
InChIKeyVHBOCFDQUAMKPJ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.52
Rot. Bonds9

About N-(3-cyclopentylpropyl)heptan-2-amine

N-(3-cyclopentylpropyl)heptan-2-amine (PubChem CID 106008711) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)heptan-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)heptan-2-amine
PubChem CID106008711
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(3-cyclopentylpropyl)heptan-2-amine
SMILESCCCCCC(C)NCCCC1CCCC1
InChIInChI=1S/C15H31N/c1-3-4-5-9-14(2)16-13-8-12-15-10-6-7-11-15/h14-16H,3-13H2,1-2H3
InChIKeyVHBOCFDQUAMKPJ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.52
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

5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494
N-(3-cyclopentylpropyl)hexan-3-amine
CID 106008928
N-(2-cyclopentyloxyethyl)octan-2-amine
CID 55259713
7-cyclopentyl-2-methyl-N-propylheptan-3-amine
CID 114192944

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)heptan-2-amine?
The IUPAC name of N-(3-cyclopentylpropyl)heptan-2-amine (CID 106008711) is N-(3-cyclopentylpropyl)heptan-2-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)heptan-2-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)heptan-2-amine is CCCCCC(C)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)heptan-2-amine?
The InChIKey is VHBOCFDQUAMKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-4-5-9-14(2)16-13-8-12-15-10-6-7-11-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N-(3-cyclopentylpropyl)heptan-2-amine?
N-(3-cyclopentylpropyl)heptan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)heptan-2-amine is sourced from PubChem (CID 106008711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).