1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

C13H23NO — CID 65156795

IUPAC1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)C1=CCCCC1
InChIInChI=1S/C13H23NO/c1-14-13(10-12-8-5-9-15-12)11-6-3-2-4-7-11/h6,12-14H,2-5,7-10H2,1H3
InChIKeyOENGTGWUGKIATJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds4

About 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 65156795) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID65156795
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)C1=CCCCC1
InChIInChI=1S/C13H23NO/c1-14-13(10-12-8-5-9-15-12)11-6-3-2-4-7-11/h6,12-14H,2-5,7-10H2,1H3
InChIKeyOENGTGWUGKIATJ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
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 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (CID 65156795) is 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is OENGTGWUGKIATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-13(10-12-8-5-9-15-12)11-6-3-2-4-7-11/h6,12-14H,2-5,7-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).