1-(cyclohexen-1-yl)-N-methylethanamine

C9H17N — CID 62079031

IUPAC1-(cyclohexen-1-yl)-N-methylethanamine
SMILESCNC(C)C1=CCCCC1
InChIInChI=1S/C9H17N/c1-8(10-2)9-6-4-3-5-7-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyILNHQZLELDIYOZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds2

About 1-(cyclohexen-1-yl)-N-methylethanamine

1-(cyclohexen-1-yl)-N-methylethanamine (PubChem CID 62079031) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methylethanamine
PubChem CID62079031
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(cyclohexen-1-yl)-N-methylethanamine
SMILESCNC(C)C1=CCCCC1
InChIInChI=1S/C9H17N/c1-8(10-2)9-6-4-3-5-7-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyILNHQZLELDIYOZ-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methylethanamine (CID 62079031) is 1-(cyclohexen-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methylethanamine is CNC(C)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methylethanamine?
The InChIKey is ILNHQZLELDIYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(10-2)9-6-4-3-5-7-9/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methylethanamine?
1-(cyclohexen-1-yl)-N-methylethanamine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methylethanamine is sourced from PubChem (CID 62079031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).