3,3,5-trimethylcyclohexan-1-imine

C9H17N — CID 19102245

IUPAC3,3,5-trimethylcyclohexan-1-imine
SMILES[H]/N=C1\CC(C)CC(C)(C)C1
InChIInChI=1S/C9H17N/c1-7-4-8(10)6-9(2,3)5-7/h7,10H,4-6H2,1-3H3/b10-8+
InChIKeyOTZHAGWIRFIUBC-CSKARUKUSA-N
MW139.24 g/mol
LogP2.85
Rot. Bonds

About 3,3,5-trimethylcyclohexan-1-imine

3,3,5-trimethylcyclohexan-1-imine (PubChem CID 19102245) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,3,5-trimethylcyclohexan-1-imine.

Molecular Properties

Compound Name3,3,5-trimethylcyclohexan-1-imine
PubChem CID19102245
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,3,5-trimethylcyclohexan-1-imine
SMILES[H]/N=C1\CC(C)CC(C)(C)C1
InChIInChI=1S/C9H17N/c1-7-4-8(10)6-9(2,3)5-7/h7,10H,4-6H2,1-3H3/b10-8+
InChIKeyOTZHAGWIRFIUBC-CSKARUKUSA-N
XLogP2.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.85
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 3,3,5-trimethylcyclohexan-1-imine?
The IUPAC name of 3,3,5-trimethylcyclohexan-1-imine (CID 19102245) is 3,3,5-trimethylcyclohexan-1-imine.
What is the SMILES notation for 3,3,5-trimethylcyclohexan-1-imine?
The canonical SMILES for 3,3,5-trimethylcyclohexan-1-imine is [H]/N=C1\CC(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethylcyclohexan-1-imine?
The InChIKey is OTZHAGWIRFIUBC-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-7-4-8(10)6-9(2,3)5-7/h7,10H,4-6H2,1-3H3/b10-8+.
What are the key properties of 3,3,5-trimethylcyclohexan-1-imine?
3,3,5-trimethylcyclohexan-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylcyclohexan-1-imine is sourced from PubChem (CID 19102245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).