2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine

C16H30N2 — CID 21453022

IUPAC2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine
SMILESNCCC1(C(CN)C2=CCCCC2)CCCCC1
InChIInChI=1S/C16H30N2/c17-12-11-16(9-5-2-6-10-16)15(13-18)14-7-3-1-4-8-14/h7,15H,1-6,8-13,17-18H2
InChIKeyORBDKLIGKLQHBF-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.36
Rot. Bonds5

About 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine

2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine (PubChem CID 21453022) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine
PubChem CID21453022
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine
SMILESNCCC1(C(CN)C2=CCCCC2)CCCCC1
InChIInChI=1S/C16H30N2/c17-12-11-16(9-5-2-6-10-16)15(13-18)14-7-3-1-4-8-14/h7,15H,1-6,8-13,17-18H2
InChIKeyORBDKLIGKLQHBF-UHFFFAOYSA-N
XLogP3.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine 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 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine?
The IUPAC name of 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine (CID 21453022) is 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine.
What is the SMILES notation for 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine?
The canonical SMILES for 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine is NCCC1(C(CN)C2=CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine?
The InChIKey is ORBDKLIGKLQHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c17-12-11-16(9-5-2-6-10-16)15(13-18)14-7-3-1-4-8-14/h7,15H,1-6,8-13,17-18H2.
What are the key properties of 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine?
2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine has a molecular weight of 250.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine is sourced from PubChem (CID 21453022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).