N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine

C16H30N2 — CID 28620744

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H30N2/c1-14(2)18-12-9-16(10-13-18)17-11-8-15-6-4-3-5-7-15/h6,14,16-17H,3-5,7-13H2,1-2H3
InChIKeyHOGWDGHKOWBVGL-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.34
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 28620744) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID28620744
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H30N2/c1-14(2)18-12-9-16(10-13-18)17-11-8-15-6-4-3-5-7-15/h6,14,16-17H,3-5,7-13H2,1-2H3
InChIKeyHOGWDGHKOWBVGL-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine (CID 28620744) is N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is HOGWDGHKOWBVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14(2)18-12-9-16(10-13-18)17-11-8-15-6-4-3-5-7-15/h6,14,16-17H,3-5,7-13H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 28620744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).