1-(3,5-dimethylcyclohexyl)piperidin-2-imine

C13H24N2 — CID 64734642

IUPAC1-(3,5-dimethylcyclohexyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C1CC(C)CC(C)C1
InChIInChI=1S/C13H24N2/c1-10-7-11(2)9-12(8-10)15-6-4-3-5-13(15)14/h10-12,14H,3-9H2,1-2H3/b14-13+
InChIKeyGJEBLOINJFJHGX-BUHFOSPRSA-N
MW208.35 g/mol
LogP3.27
Rot. Bonds1

About 1-(3,5-dimethylcyclohexyl)piperidin-2-imine

1-(3,5-dimethylcyclohexyl)piperidin-2-imine (PubChem CID 64734642) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)piperidin-2-imine
PubChem CID64734642
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(3,5-dimethylcyclohexyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C1CC(C)CC(C)C1
InChIInChI=1S/C13H24N2/c1-10-7-11(2)9-12(8-10)15-6-4-3-5-13(15)14/h10-12,14H,3-9H2,1-2H3/b14-13+
InChIKeyGJEBLOINJFJHGX-BUHFOSPRSA-N
XLogP3.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
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 1-(3,5-dimethylcyclohexyl)piperidin-2-imine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)piperidin-2-imine (CID 64734642) is 1-(3,5-dimethylcyclohexyl)piperidin-2-imine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)piperidin-2-imine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)piperidin-2-imine is [H]/N=C1\CCCCN1C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)piperidin-2-imine?
The InChIKey is GJEBLOINJFJHGX-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H24N2/c1-10-7-11(2)9-12(8-10)15-6-4-3-5-13(15)14/h10-12,14H,3-9H2,1-2H3/b14-13+.
What are the key properties of 1-(3,5-dimethylcyclohexyl)piperidin-2-imine?
1-(3,5-dimethylcyclohexyl)piperidin-2-imine has a molecular weight of 208.35 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)piperidin-2-imine is sourced from PubChem (CID 64734642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).