N-cyclohexyl-2,4-dimethylpentan-3-imine

C13H25N — CID 637643

IUPACN-cyclohexyl-2,4-dimethylpentan-3-imine
SMILESCC(C)C(=NC1CCCCC1)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)13(11(3)4)14-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3
InChIKeyGCFJTMYRQGWANW-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.07
Rot. Bonds3

About N-cyclohexyl-2,4-dimethylpentan-3-imine

N-cyclohexyl-2,4-dimethylpentan-3-imine (PubChem CID 637643) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-cyclohexyl-2,4-dimethylpentan-3-imine.

Molecular Properties

Compound NameN-cyclohexyl-2,4-dimethylpentan-3-imine
PubChem CID637643
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-cyclohexyl-2,4-dimethylpentan-3-imine
SMILESCC(C)C(=NC1CCCCC1)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)13(11(3)4)14-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3
InChIKeyGCFJTMYRQGWANW-UHFFFAOYSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4-dimethylpentan-3-imine?
The IUPAC name of N-cyclohexyl-2,4-dimethylpentan-3-imine (CID 637643) is N-cyclohexyl-2,4-dimethylpentan-3-imine.
What is the SMILES notation for N-cyclohexyl-2,4-dimethylpentan-3-imine?
The canonical SMILES for N-cyclohexyl-2,4-dimethylpentan-3-imine is CC(C)C(=NC1CCCCC1)C(C)C.
What is the InChIKey of N-cyclohexyl-2,4-dimethylpentan-3-imine?
The InChIKey is GCFJTMYRQGWANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)13(11(3)4)14-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-2,4-dimethylpentan-3-imine?
N-cyclohexyl-2,4-dimethylpentan-3-imine has a molecular weight of 195.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4-dimethylpentan-3-imine is sourced from PubChem (CID 637643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).