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

C13H23NO — CID 82838397

IUPAC(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESNC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C13H23NO/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h9,11,13H,1-8,10,14H2/b12-9-
InChIKeyJEIJGEVNQYLWMC-XFXZXTDPSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds3

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

(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 82838397) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID82838397
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESNC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C13H23NO/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h9,11,13H,1-8,10,14H2/b12-9-
InChIKeyJEIJGEVNQYLWMC-XFXZXTDPSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine (CID 82838397) is (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine is NC/C(=C/C1CCCO1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is JEIJGEVNQYLWMC-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H23NO/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h9,11,13H,1-8,10,14H2/b12-9-.
What are the key properties of (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine?
(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82838397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).