N-hexyl-3,3,5-trimethylcyclohexan-1-imine

C15H29N — CID 13488945

IUPACN-hexyl-3,3,5-trimethylcyclohexan-1-imine
SMILESCCCCCC/N=C1\CC(C)CC(C)(C)C1
InChIInChI=1S/C15H29N/c1-5-6-7-8-9-16-14-10-13(2)11-15(3,4)12-14/h13H,5-12H2,1-4H3/b16-14+
InChIKeyXAKSCQYODRDOGP-JQIJEIRASA-N
MW223.40 g/mol
LogP4.85
Rot. Bonds5

About N-hexyl-3,3,5-trimethylcyclohexan-1-imine

N-hexyl-3,3,5-trimethylcyclohexan-1-imine (PubChem CID 13488945) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-hexyl-3,3,5-trimethylcyclohexan-1-imine.

Molecular Properties

Compound NameN-hexyl-3,3,5-trimethylcyclohexan-1-imine
PubChem CID13488945
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-hexyl-3,3,5-trimethylcyclohexan-1-imine
SMILESCCCCCC/N=C1\CC(C)CC(C)(C)C1
InChIInChI=1S/C15H29N/c1-5-6-7-8-9-16-14-10-13(2)11-15(3,4)12-14/h13H,5-12H2,1-4H3/b16-14+
InChIKeyXAKSCQYODRDOGP-JQIJEIRASA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3,3,5-trimethylcyclohexan-1-imine?
The IUPAC name of N-hexyl-3,3,5-trimethylcyclohexan-1-imine (CID 13488945) is N-hexyl-3,3,5-trimethylcyclohexan-1-imine.
What is the SMILES notation for N-hexyl-3,3,5-trimethylcyclohexan-1-imine?
The canonical SMILES for N-hexyl-3,3,5-trimethylcyclohexan-1-imine is CCCCCC/N=C1\CC(C)CC(C)(C)C1.
What is the InChIKey of N-hexyl-3,3,5-trimethylcyclohexan-1-imine?
The InChIKey is XAKSCQYODRDOGP-JQIJEIRASA-N. The full InChI is InChI=1S/C15H29N/c1-5-6-7-8-9-16-14-10-13(2)11-15(3,4)12-14/h13H,5-12H2,1-4H3/b16-14+.
What are the key properties of N-hexyl-3,3,5-trimethylcyclohexan-1-imine?
N-hexyl-3,3,5-trimethylcyclohexan-1-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-hexyl-3,3,5-trimethylcyclohexan-1-imine is sourced from PubChem (CID 13488945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).