1-cyclohexyl-2,2,3-trimethylbutan-1-imine

C13H25N — CID 142560281

IUPAC1-cyclohexyl-2,2,3-trimethylbutan-1-imine
SMILES[H]/N=C(\C1CCCCC1)C(C)(C)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)13(3,4)12(14)11-8-6-5-7-9-11/h10-11,14H,5-9H2,1-4H3/b14-12+
InChIKeyXZVZRAYOZFUIKX-WYMLVPIESA-N
MW195.35 g/mol
LogP4.27
Rot. Bonds3

About 1-cyclohexyl-2,2,3-trimethylbutan-1-imine

1-cyclohexyl-2,2,3-trimethylbutan-1-imine (PubChem CID 142560281) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,3-trimethylbutan-1-imine.

Molecular Properties

Compound Name1-cyclohexyl-2,2,3-trimethylbutan-1-imine
PubChem CID142560281
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-cyclohexyl-2,2,3-trimethylbutan-1-imine
SMILES[H]/N=C(\C1CCCCC1)C(C)(C)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)13(3,4)12(14)11-8-6-5-7-9-11/h10-11,14H,5-9H2,1-4H3/b14-12+
InChIKeyXZVZRAYOZFUIKX-WYMLVPIESA-N
XLogP4.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.27
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

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CID 223594
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CID 6029164
(NE)-N-(2-tert-butylcyclohexylidene)hydroxylamine
CID 59910032
1-[(5S)-2-fluoro-3,5-dimethylcyclohexyl]propan-1-imine
CID 138652436
2,2,6,6-Tetramethylcyclohexan-1-imine
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5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline
CID 134896374
Cyclohexanone, 4-(1,1-dimethylethyl)-, hydrazone
CID 13974063
4-(1,1-Dimethylpropyl)cyclohexanone oxime
CID 15300725
1-Cyclohexylethanimine
CID 18727539
3,3,5-Trimethylcyclohexan-1-imine
CID 19102245

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2,3-trimethylbutan-1-imine?
The IUPAC name of 1-cyclohexyl-2,2,3-trimethylbutan-1-imine (CID 142560281) is 1-cyclohexyl-2,2,3-trimethylbutan-1-imine.
What is the SMILES notation for 1-cyclohexyl-2,2,3-trimethylbutan-1-imine?
The canonical SMILES for 1-cyclohexyl-2,2,3-trimethylbutan-1-imine is [H]/N=C(\C1CCCCC1)C(C)(C)C(C)C.
What is the InChIKey of 1-cyclohexyl-2,2,3-trimethylbutan-1-imine?
The InChIKey is XZVZRAYOZFUIKX-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)13(3,4)12(14)11-8-6-5-7-9-11/h10-11,14H,5-9H2,1-4H3/b14-12+.
What are the key properties of 1-cyclohexyl-2,2,3-trimethylbutan-1-imine?
1-cyclohexyl-2,2,3-trimethylbutan-1-imine has a molecular weight of 195.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,3-trimethylbutan-1-imine is sourced from PubChem (CID 142560281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).