(E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine

C14H25NO — CID 82838510

IUPAC(E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCNC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-15-11-13(10-14-8-5-9-16-14)12-6-3-2-4-7-12/h10,12,14-15H,2-9,11H2,1H3/b13-10-
InChIKeyKDXOIRCYZRWKNK-RAXLEYEMSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds4

About (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine

(E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 82838510) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID82838510
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCNC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-15-11-13(10-14-8-5-9-16-14)12-6-3-2-4-7-12/h10,12,14-15H,2-9,11H2,1H3/b13-10-
InChIKeyKDXOIRCYZRWKNK-RAXLEYEMSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-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 (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine (CID 82838510) is (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine is CNC/C(=C/C1CCCO1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is KDXOIRCYZRWKNK-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H25NO/c1-15-11-13(10-14-8-5-9-16-14)12-6-3-2-4-7-12/h10,12,14-15H,2-9,11H2,1H3/b13-10-.
What are the key properties of (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
(E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-N-methyl-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82838510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).