1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine

C10H19N — CID 131071689

IUPAC1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine
SMILESCCC1(CNC)CC=CCC1
InChIInChI=1S/C10H19N/c1-3-10(9-11-2)7-5-4-6-8-10/h4-5,11H,3,6-9H2,1-2H3
InChIKeyWOMCQSOLVSLQDW-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds3

About 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine

1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine (PubChem CID 131071689) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine
PubChem CID131071689
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine
SMILESCCC1(CNC)CC=CCC1
InChIInChI=1S/C10H19N/c1-3-10(9-11-2)7-5-4-6-8-10/h4-5,11H,3,6-9H2,1-2H3
InChIKeyWOMCQSOLVSLQDW-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
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-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine (CID 131071689) is 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine is CCC1(CNC)CC=CCC1.
What is the InChIKey of 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine?
The InChIKey is WOMCQSOLVSLQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-10(9-11-2)7-5-4-6-8-10/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine?
1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohex-3-en-1-yl)-N-methylmethanamine is sourced from PubChem (CID 131071689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).