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

C14H25NO — CID 65156044

IUPAC1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-2-15-14(11-13-9-6-10-16-13)12-7-4-3-5-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyYYILEFPOSRQKPF-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds5

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

1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine (PubChem CID 65156044) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
PubChem CID65156044
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-2-15-14(11-13-9-6-10-16-13)12-7-4-3-5-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyYYILEFPOSRQKPF-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
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-ethyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine (CID 65156044) is 1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is YYILEFPOSRQKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-15-14(11-13-9-6-10-16-13)12-7-4-3-5-8-12/h7,13-15H,2-6,8-11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
1-(cyclohexen-1-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.03, 5 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-ethyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).