4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine

C13H23N — CID 89084634

IUPAC4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine
SMILES[H]/N=C(\C)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C13H23N/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h14H,5-9H2,1-4H3/b14-11+
InChIKeyIOXZGFYFVHHENS-SDNWHVSQSA-N
MW193.33 g/mol
LogP4.33
Rot. Bonds3

About 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine (PubChem CID 89084634) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine.

Molecular Properties

Compound Name4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine
PubChem CID89084634
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine
SMILES[H]/N=C(\C)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C13H23N/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h14H,5-9H2,1-4H3/b14-11+
InChIKeyIOXZGFYFVHHENS-SDNWHVSQSA-N
XLogP4.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone oxime
CID 5348710
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
2,2,3,4,5-Pentamethylcyclopent-3-en-1-imine
CID 90908321
6-Tert-butyl-4,5,7-trimethylnon-6-en-3-imine
CID 91135805
6-ethyl-5-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-imine
CID 117807390
(3R)-3,5,5-trimethyl-1-(2-methylcycloprop-2-en-1-yl)hexan-2-imine
CID 121480625

Frequently Asked Questions

What is the IUPAC name of 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine?
The IUPAC name of 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine (CID 89084634) is 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine.
What is the SMILES notation for 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine?
The canonical SMILES for 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine is [H]/N=C(\C)CCC1=C(C)CCCC1(C)C.
What is the InChIKey of 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine?
The InChIKey is IOXZGFYFVHHENS-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23N/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h14H,5-9H2,1-4H3/b14-11+.
What are the key properties of 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine?
4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-imine is sourced from PubChem (CID 89084634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).