1-cyclohex-3-en-1-ylethanimine

C8H13N — CID 88885301

IUPAC1-cyclohex-3-en-1-ylethanimine
SMILES[H]/N=C(\C)C1CC=CCC1
InChIInChI=1S/C8H13N/c1-7(9)8-5-3-2-4-6-8/h2-3,8-9H,4-6H2,1H3/b9-7+
InChIKeyVQRXMUZIPCDRFL-VQHVLOKHSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds1

About 1-cyclohex-3-en-1-ylethanimine

1-cyclohex-3-en-1-ylethanimine (PubChem CID 88885301) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylethanimine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylethanimine
PubChem CID88885301
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-cyclohex-3-en-1-ylethanimine
SMILES[H]/N=C(\C)C1CC=CCC1
InChIInChI=1S/C8H13N/c1-7(9)8-5-3-2-4-6-8/h2-3,8-9H,4-6H2,1H3/b9-7+
InChIKeyVQRXMUZIPCDRFL-VQHVLOKHSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-ylethanimine?
The IUPAC name of 1-cyclohex-3-en-1-ylethanimine (CID 88885301) is 1-cyclohex-3-en-1-ylethanimine.
What is the SMILES notation for 1-cyclohex-3-en-1-ylethanimine?
The canonical SMILES for 1-cyclohex-3-en-1-ylethanimine is [H]/N=C(\C)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-ylethanimine?
The InChIKey is VQRXMUZIPCDRFL-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13N/c1-7(9)8-5-3-2-4-6-8/h2-3,8-9H,4-6H2,1H3/b9-7+.
What are the key properties of 1-cyclohex-3-en-1-ylethanimine?
1-cyclohex-3-en-1-ylethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-ylethanimine is sourced from PubChem (CID 88885301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).