cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine

C15H28N2 — CID 65286944

IUPACcyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCCC(C)(C)CC1
InChIInChI=1S/C15H28N2/c1-15(2)9-6-11-17(12-10-15)14(16)13-7-4-3-5-8-13/h13,16H,3-12H2,1-2H3/b16-14+
InChIKeyLNDJELBDWMDIJC-JQIJEIRASA-N
MW236.40 g/mol
LogP4.06
Rot. Bonds1

About cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine

cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine (PubChem CID 65286944) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine.

Molecular Properties

Compound Namecyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
PubChem CID65286944
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Namecyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCCC(C)(C)CC1
InChIInChI=1S/C15H28N2/c1-15(2)9-6-11-17(12-10-15)14(16)13-7-4-3-5-8-13/h13,16H,3-12H2,1-2H3/b16-14+
InChIKeyLNDJELBDWMDIJC-JQIJEIRASA-N
XLogP4.06
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine?
The IUPAC name of cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine (CID 65286944) is cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine.
What is the SMILES notation for cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine?
The canonical SMILES for cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine is [H]/N=C(\C1CCCCC1)N1CCCC(C)(C)CC1.
What is the InChIKey of cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine?
The InChIKey is LNDJELBDWMDIJC-JQIJEIRASA-N. The full InChI is InChI=1S/C15H28N2/c1-15(2)9-6-11-17(12-10-15)14(16)13-7-4-3-5-8-13/h13,16H,3-12H2,1-2H3/b16-14+.
What are the key properties of cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine?
cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine has a molecular weight of 236.40 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine is sourced from PubChem (CID 65286944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).