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

C15H28N2 — CID 113359705

IUPAC1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H28N2/c1-14(2)9-12(10-15(3,4)11-14)17-8-6-5-7-13(17)16/h12,16H,5-11H2,1-4H3/b16-13+
InChIKeyKRMVPRDZHMBYGT-DTQAZKPQSA-N
MW236.40 g/mol
LogP4.05
Rot. Bonds1

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

1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine (PubChem CID 113359705) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine
PubChem CID113359705
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H28N2/c1-14(2)9-12(10-15(3,4)11-14)17-8-6-5-7-13(17)16/h12,16H,5-11H2,1-4H3/b16-13+
InChIKeyKRMVPRDZHMBYGT-DTQAZKPQSA-N
XLogP4.05
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 ≤ 54.05
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-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine?
The IUPAC name of 1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine (CID 113359705) is 1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine.
What is the SMILES notation for 1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine?
The canonical SMILES for 1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine is [H]/N=C1\CCCCN1C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine?
The InChIKey is KRMVPRDZHMBYGT-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H28N2/c1-14(2)9-12(10-15(3,4)11-14)17-8-6-5-7-13(17)16/h12,16H,5-11H2,1-4H3/b16-13+.
What are the key properties of 1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine?
1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine has a molecular weight of 236.40 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine is sourced from PubChem (CID 113359705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).