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

C9H17N — CID 18360934

IUPAC2-(cyclohexen-1-yl)-N-methylethanamine
SMILESCNCCC1=CCCCC1
InChIInChI=1S/C9H17N/c1-10-8-7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3
InChIKeyPFKWSEGULAAGAX-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.10
Rot. Bonds3

About 2-(cyclohexen-1-yl)-N-methylethanamine

2-(cyclohexen-1-yl)-N-methylethanamine (PubChem CID 18360934) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methylethanamine
PubChem CID18360934
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-(cyclohexen-1-yl)-N-methylethanamine
SMILESCNCCC1=CCCCC1
InChIInChI=1S/C9H17N/c1-10-8-7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3
InChIKeyPFKWSEGULAAGAX-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.10
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 2-(cyclohexen-1-yl)-N-methylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methylethanamine (CID 18360934) is 2-(cyclohexen-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methylethanamine is CNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methylethanamine?
The InChIKey is PFKWSEGULAAGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10-8-7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-methylethanamine?
2-(cyclohexen-1-yl)-N-methylethanamine has a molecular weight of 139.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methylethanamine is sourced from PubChem (CID 18360934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).