1-(1-methylcyclohexyl)ethanimine

C9H17N — CID 130282781

IUPAC1-(1-methylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1(C)CCCCC1
InChIInChI=1S/C9H17N/c1-8(10)9(2)6-4-3-5-7-9/h10H,3-7H2,1-2H3/b10-8+
InChIKeyJJHVAJBHNQNQOZ-CSKARUKUSA-N
MW139.24 g/mol
LogP3.00
Rot. Bonds1

About 1-(1-methylcyclohexyl)ethanimine

1-(1-methylcyclohexyl)ethanimine (PubChem CID 130282781) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)ethanimine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)ethanimine
PubChem CID130282781
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(1-methylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1(C)CCCCC1
InChIInChI=1S/C9H17N/c1-8(10)9(2)6-4-3-5-7-9/h10H,3-7H2,1-2H3/b10-8+
InChIKeyJJHVAJBHNQNQOZ-CSKARUKUSA-N
XLogP3.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)ethanimine?
The IUPAC name of 1-(1-methylcyclohexyl)ethanimine (CID 130282781) is 1-(1-methylcyclohexyl)ethanimine.
What is the SMILES notation for 1-(1-methylcyclohexyl)ethanimine?
The canonical SMILES for 1-(1-methylcyclohexyl)ethanimine is [H]/N=C(\C)C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)ethanimine?
The InChIKey is JJHVAJBHNQNQOZ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-8(10)9(2)6-4-3-5-7-9/h10H,3-7H2,1-2H3/b10-8+.
What are the key properties of 1-(1-methylcyclohexyl)ethanimine?
1-(1-methylcyclohexyl)ethanimine has a molecular weight of 139.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)ethanimine is sourced from PubChem (CID 130282781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).