2-(4-methylpentan-2-yl)cyclohexan-1-imine

C12H23N — CID 163848333

IUPAC2-(4-methylpentan-2-yl)cyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1C(C)CC(C)C
InChIInChI=1S/C12H23N/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h9-11,13H,4-8H2,1-3H3/b13-12+
InChIKeyOSDQGQMEEHGGHW-OUKQBFOZSA-N
MW181.32 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-methylpentan-2-yl)cyclohexan-1-imine

2-(4-methylpentan-2-yl)cyclohexan-1-imine (PubChem CID 163848333) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yl)cyclohexan-1-imine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yl)cyclohexan-1-imine
PubChem CID163848333
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(4-methylpentan-2-yl)cyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1C(C)CC(C)C
InChIInChI=1S/C12H23N/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h9-11,13H,4-8H2,1-3H3/b13-12+
InChIKeyOSDQGQMEEHGGHW-OUKQBFOZSA-N
XLogP3.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

2-iminocyclohexan-1-amine
CID 23599757
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992
ethyl 2-iminocyclohexane-1-carboxylate
CID 57207114
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
(1R)-2-iminocyclohexane-1-carboxylic acid
CID 86316627
1-butan-2-yl-2-methylidenecyclohexane
CID 123953044
3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine
CID 123240819
2-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 16727057
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yl)cyclohexan-1-imine?
The IUPAC name of 2-(4-methylpentan-2-yl)cyclohexan-1-imine (CID 163848333) is 2-(4-methylpentan-2-yl)cyclohexan-1-imine.
What is the SMILES notation for 2-(4-methylpentan-2-yl)cyclohexan-1-imine?
The canonical SMILES for 2-(4-methylpentan-2-yl)cyclohexan-1-imine is [H]/N=C1\CCCCC1C(C)CC(C)C.
What is the InChIKey of 2-(4-methylpentan-2-yl)cyclohexan-1-imine?
The InChIKey is OSDQGQMEEHGGHW-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h9-11,13H,4-8H2,1-3H3/b13-12+.
What are the key properties of 2-(4-methylpentan-2-yl)cyclohexan-1-imine?
2-(4-methylpentan-2-yl)cyclohexan-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yl)cyclohexan-1-imine is sourced from PubChem (CID 163848333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).