1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine

C12H23NO — CID 106652652

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNC(CCOC)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-3-13-12(9-10-14-2)11-7-5-4-6-8-11/h7,12-13H,3-6,8-10H2,1-2H3
InChIKeyCCGDRKMTAPXQNY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 106652652) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
PubChem CID106652652
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNC(CCOC)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-3-13-12(9-10-14-2)11-7-5-4-6-8-11/h7,12-13H,3-6,8-10H2,1-2H3
InChIKeyCCGDRKMTAPXQNY-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 106657118
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 106654780
1-(cyclopenten-1-yl)-N-ethylhexan-1-amine
CID 62080366
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
[1-(cyclohepten-1-yl)-4-methoxybutyl]hydrazine
CID 106648972
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
[1-(cycloocten-1-yl)-3-ethoxypropyl]hydrazine
CID 106650004

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine (CID 106652652) is 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine is CCNC(CCOC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is CCGDRKMTAPXQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13-12(9-10-14-2)11-7-5-4-6-8-11/h7,12-13H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 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-3-methoxypropan-1-amine is sourced from PubChem (CID 106652652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).