1-(4-tert-butylcyclohexyl)ethanimine

C12H23N — CID 20718020

IUPAC1-(4-tert-butylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23N/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h10-11,13H,5-8H2,1-4H3/b13-9+
InChIKeyRQASESXCEDUQEW-UKTHLTGXSA-N
MW181.32 g/mol
LogP3.88
Rot. Bonds1

About 1-(4-tert-butylcyclohexyl)ethanimine

1-(4-tert-butylcyclohexyl)ethanimine (PubChem CID 20718020) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)ethanimine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)ethanimine
PubChem CID20718020
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(4-tert-butylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23N/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h10-11,13H,5-8H2,1-4H3/b13-9+
InChIKeyRQASESXCEDUQEW-UKTHLTGXSA-N
XLogP3.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.88
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
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-imine
CID 3922441
Menthone hydrazone
CID 93506663
2,5-Di-tert.-butyl-cyclohexanonoxim
CID 129628933
(s)Camphor imine
CID 129681601
Cyclohexanone, 4-(1,1-dimethylethyl)-, hydrazone
CID 13974063
(NE)-N-(5-methyl-2-propan-2-ylcyclohexylidene)thiohydroxylamine
CID 9562558
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 1534836
3,3,5-Trimethylcyclohexan-1-imine
CID 19102245
1-(1,3,3,5-Tetramethylcyclohexyl)ethanimine
CID 20692070
2,2-Dimethylcyclohexan-1-imine
CID 22113511
1-(2-Iminopropyl)-4-methylcyclohexane-1-carbonitrile
CID 53718423

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)ethanimine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)ethanimine (CID 20718020) is 1-(4-tert-butylcyclohexyl)ethanimine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)ethanimine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)ethanimine is [H]/N=C(\C)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)ethanimine?
The InChIKey is RQASESXCEDUQEW-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H23N/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h10-11,13H,5-8H2,1-4H3/b13-9+.
What are the key properties of 1-(4-tert-butylcyclohexyl)ethanimine?
1-(4-tert-butylcyclohexyl)ethanimine has a molecular weight of 181.32 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)ethanimine is sourced from PubChem (CID 20718020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).