N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine

C15H27N — CID 115868307

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine
SMILESCC(C)(NCC1CC=CCC1)C1CCCC1
InChIInChI=1S/C15H27N/c1-15(2,14-10-6-7-11-14)16-12-13-8-4-3-5-9-13/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyJJFCDBXYTUDSTL-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.90
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine

N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine (PubChem CID 115868307) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine
PubChem CID115868307
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine
SMILESCC(C)(NCC1CC=CCC1)C1CCCC1
InChIInChI=1S/C15H27N/c1-15(2,14-10-6-7-11-14)16-12-13-8-4-3-5-9-13/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyJJFCDBXYTUDSTL-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine (CID 115868307) is N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine is CC(C)(NCC1CC=CCC1)C1CCCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine?
The InChIKey is JJFCDBXYTUDSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-15(2,14-10-6-7-11-14)16-12-13-8-4-3-5-9-13/h3-4,13-14,16H,5-12H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine is sourced from PubChem (CID 115868307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).