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

C13H25N — CID 165349632

IUPACN-cyclohexyl-4,4-dimethylpentan-2-imine
SMILESC/C(CC(C)(C)C)=N\C1CCCCC1
InChIInChI=1S/C13H25N/c1-11(10-13(2,3)4)14-12-8-6-5-7-9-12/h12H,5-10H2,1-4H3/b14-11+
InChIKeyDJNBVMWDWLDSCA-SDNWHVSQSA-N
MW195.35 g/mol
LogP4.22
Rot. Bonds2

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

N-cyclohexyl-4,4-dimethylpentan-2-imine (PubChem CID 165349632) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-cyclohexyl-4,4-dimethylpentan-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4,4-dimethylpentan-2-imine
PubChem CID165349632
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-cyclohexyl-4,4-dimethylpentan-2-imine
SMILESC/C(CC(C)(C)C)=N\C1CCCCC1
InChIInChI=1S/C13H25N/c1-11(10-13(2,3)4)14-12-8-6-5-7-9-12/h12H,5-10H2,1-4H3/b14-11+
InChIKeyDJNBVMWDWLDSCA-SDNWHVSQSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.22
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-4,4-dimethylpentan-2-imine?
The IUPAC name of N-cyclohexyl-4,4-dimethylpentan-2-imine (CID 165349632) is N-cyclohexyl-4,4-dimethylpentan-2-imine.
What is the SMILES notation for N-cyclohexyl-4,4-dimethylpentan-2-imine?
The canonical SMILES for N-cyclohexyl-4,4-dimethylpentan-2-imine is C/C(CC(C)(C)C)=N\C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4,4-dimethylpentan-2-imine?
The InChIKey is DJNBVMWDWLDSCA-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H25N/c1-11(10-13(2,3)4)14-12-8-6-5-7-9-12/h12H,5-10H2,1-4H3/b14-11+.
What are the key properties of N-cyclohexyl-4,4-dimethylpentan-2-imine?
N-cyclohexyl-4,4-dimethylpentan-2-imine has a molecular weight of 195.35 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,4-dimethylpentan-2-imine is sourced from PubChem (CID 165349632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).