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

C15H27NO — CID 82838511

IUPAC(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCCNC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-2-16-12-14(11-15-9-6-10-17-15)13-7-4-3-5-8-13/h11,13,15-16H,2-10,12H2,1H3/b14-11-
InChIKeyNJXPWMRJVOCLFK-KAMYIIQDSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds5

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

(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 82838511) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID82838511
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCCNC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-2-16-12-14(11-15-9-6-10-17-15)13-7-4-3-5-8-13/h11,13,15-16H,2-10,12H2,1H3/b14-11-
InChIKeyNJXPWMRJVOCLFK-KAMYIIQDSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
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-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine (CID 82838511) is (E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine is CCNC/C(=C/C1CCCO1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is NJXPWMRJVOCLFK-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-16-12-14(11-15-9-6-10-17-15)13-7-4-3-5-8-13/h11,13,15-16H,2-10,12H2,1H3/b14-11-.
What are the key properties of (E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine?
(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82838511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).