1-cyclohex-3-en-1-yl-N-ethoxymethanamine

C9H17NO — CID 82710292

IUPAC1-cyclohex-3-en-1-yl-N-ethoxymethanamine
SMILESCCONCC1CC=CCC1
InChIInChI=1S/C9H17NO/c1-2-11-10-8-9-6-4-3-5-7-9/h3-4,9-10H,2,5-8H2,1H3
InChIKeyOUXZLVJNEUXMNT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.88
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-ethoxymethanamine

1-cyclohex-3-en-1-yl-N-ethoxymethanamine (PubChem CID 82710292) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-ethoxymethanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-ethoxymethanamine
PubChem CID82710292
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-cyclohex-3-en-1-yl-N-ethoxymethanamine
SMILESCCONCC1CC=CCC1
InChIInChI=1S/C9H17NO/c1-2-11-10-8-9-6-4-3-5-7-9/h3-4,9-10H,2,5-8H2,1H3
InChIKeyOUXZLVJNEUXMNT-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-ethoxymethanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-ethoxymethanamine (CID 82710292) is 1-cyclohex-3-en-1-yl-N-ethoxymethanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-ethoxymethanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-ethoxymethanamine is CCONCC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-ethoxymethanamine?
The InChIKey is OUXZLVJNEUXMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-11-10-8-9-6-4-3-5-7-9/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-ethoxymethanamine?
1-cyclohex-3-en-1-yl-N-ethoxymethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-ethoxymethanamine is sourced from PubChem (CID 82710292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).