4-ethyl-4-methylcyclohexan-1-imine

C9H17N — CID 143498509

IUPAC4-ethyl-4-methylcyclohexan-1-imine
SMILES[H]N=C1CCC(C)(CC)CC1
InChIInChI=1S/C9H17N/c1-3-9(2)6-4-8(10)5-7-9/h10H,3-7H2,1-2H3/b10-8-
InChIKeyLXUYPRITPBMHEU-NTMALXAHSA-N
MW139.24 g/mol
LogP3.00
Rot. Bonds1

About 4-ethyl-4-methylcyclohexan-1-imine

4-ethyl-4-methylcyclohexan-1-imine (PubChem CID 143498509) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-ethyl-4-methylcyclohexan-1-imine.

Molecular Properties

Compound Name4-ethyl-4-methylcyclohexan-1-imine
PubChem CID143498509
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-ethyl-4-methylcyclohexan-1-imine
SMILES[H]N=C1CCC(C)(CC)CC1
InChIInChI=1S/C9H17N/c1-3-9(2)6-4-8(10)5-7-9/h10H,3-7H2,1-2H3/b10-8-
InChIKeyLXUYPRITPBMHEU-NTMALXAHSA-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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Related Compounds

N-cyclohexylpropylideneimine
CID 278552
Cycloheptanimine, 2,2,7,7-tetramethyl-
CID 534470
2,2,6,6-Tetramethylcyclohexan-1-imine
CID 13096255
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
Cyclohexanone, 4-(1,1-dimethylethyl)-, hydrazone
CID 13974063
2,3-Diazaspiro[4.5]deca-1,3-diene, 1,4-dimethyl-
CID 548920
3,3-Dimethylhexan-2-imine
CID 12754201
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
1-Cyclohexylethanimine
CID 18727539
3,3,5-Trimethylcyclohexan-1-imine
CID 19102245

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylcyclohexan-1-imine?
The IUPAC name of 4-ethyl-4-methylcyclohexan-1-imine (CID 143498509) is 4-ethyl-4-methylcyclohexan-1-imine.
What is the SMILES notation for 4-ethyl-4-methylcyclohexan-1-imine?
The canonical SMILES for 4-ethyl-4-methylcyclohexan-1-imine is [H]N=C1CCC(C)(CC)CC1.
What is the InChIKey of 4-ethyl-4-methylcyclohexan-1-imine?
The InChIKey is LXUYPRITPBMHEU-NTMALXAHSA-N. The full InChI is InChI=1S/C9H17N/c1-3-9(2)6-4-8(10)5-7-9/h10H,3-7H2,1-2H3/b10-8-.
What are the key properties of 4-ethyl-4-methylcyclohexan-1-imine?
4-ethyl-4-methylcyclohexan-1-imine 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 4-ethyl-4-methylcyclohexan-1-imine is sourced from PubChem (CID 143498509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).