1-(1,3,3,5-tetramethylcyclohexyl)ethanimine

C12H23N — CID 20692070

IUPAC1-(1,3,3,5-tetramethylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-9-6-11(3,4)8-12(5,7-9)10(2)13/h9,13H,6-8H2,1-5H3/b13-10+
InChIKeyHAVSCVAKZYAARK-JLHYYAGUSA-N
MW181.32 g/mol
LogP3.88
Rot. Bonds1

About 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine

1-(1,3,3,5-tetramethylcyclohexyl)ethanimine (PubChem CID 20692070) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine.

Molecular Properties

Compound Name1-(1,3,3,5-tetramethylcyclohexyl)ethanimine
PubChem CID20692070
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(1,3,3,5-tetramethylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-9-6-11(3,4)8-12(5,7-9)10(2)13/h9,13H,6-8H2,1-5H3/b13-10+
InChIKeyHAVSCVAKZYAARK-JLHYYAGUSA-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
Cyclohexanimine, 2,6-dimethyl-
CID 114554
1-[(5S)-2-fluoro-3,5-dimethylcyclohexyl]propan-1-imine
CID 138652436
2,2,6,6-Tetramethylcyclohexan-1-imine
CID 13096255
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
2-n-Butyl-2,6-dimethylcyclohexanone oxime
CID 129775980
Cyclohexanone, 4-(1,1-dimethylethyl)-, hydrazone
CID 13974063
(2,2,6-Trimethylcyclohexylidene)hydrazine
CID 85727374
1-(1-Adamantyl)ethanimine
CID 133564043
1-Cyclohexylethanimine
CID 18727539
3,3,5-Trimethylcyclohexan-1-imine
CID 19102245
1-(4-Tert-butylcyclohexyl)ethanimine
CID 20718020

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine?
The IUPAC name of 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine (CID 20692070) is 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine.
What is the SMILES notation for 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine?
The canonical SMILES for 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine is [H]/N=C(\C)C1(C)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine?
The InChIKey is HAVSCVAKZYAARK-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23N/c1-9-6-11(3,4)8-12(5,7-9)10(2)13/h9,13H,6-8H2,1-5H3/b13-10+.
What are the key properties of 1-(1,3,3,5-tetramethylcyclohexyl)ethanimine?
1-(1,3,3,5-tetramethylcyclohexyl)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-(1,3,3,5-tetramethylcyclohexyl)ethanimine is sourced from PubChem (CID 20692070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).