N-cyclohexyl-2,6-dimethylheptan-4-imine

C15H29N — CID 134991512

IUPACN-cyclohexyl-2,6-dimethylheptan-4-imine
SMILESCC(C)CC(CC(C)C)=NC1CCCCC1
InChIInChI=1S/C15H29N/c1-12(2)10-15(11-13(3)4)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3
InChIKeyXBIIZUAJFYDCON-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.85
Rot. Bonds5

About N-cyclohexyl-2,6-dimethylheptan-4-imine

N-cyclohexyl-2,6-dimethylheptan-4-imine (PubChem CID 134991512) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-cyclohexyl-2,6-dimethylheptan-4-imine.

Molecular Properties

Compound NameN-cyclohexyl-2,6-dimethylheptan-4-imine
PubChem CID134991512
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-cyclohexyl-2,6-dimethylheptan-4-imine
SMILESCC(C)CC(CC(C)C)=NC1CCCCC1
InChIInChI=1S/C15H29N/c1-12(2)10-15(11-13(3)4)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3
InChIKeyXBIIZUAJFYDCON-UHFFFAOYSA-N
XLogP4.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.85
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-2,6-dimethylheptan-4-imine?
The IUPAC name of N-cyclohexyl-2,6-dimethylheptan-4-imine (CID 134991512) is N-cyclohexyl-2,6-dimethylheptan-4-imine.
What is the SMILES notation for N-cyclohexyl-2,6-dimethylheptan-4-imine?
The canonical SMILES for N-cyclohexyl-2,6-dimethylheptan-4-imine is CC(C)CC(CC(C)C)=NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,6-dimethylheptan-4-imine?
The InChIKey is XBIIZUAJFYDCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12(2)10-15(11-13(3)4)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3.
What are the key properties of N-cyclohexyl-2,6-dimethylheptan-4-imine?
N-cyclohexyl-2,6-dimethylheptan-4-imine has a molecular weight of 223.40 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,6-dimethylheptan-4-imine is sourced from PubChem (CID 134991512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).