N,2,2-trimethylcyclohexan-1-imine

C9H17N — CID 12526247

IUPACN,2,2-trimethylcyclohexan-1-imine
SMILESC/N=C1\CCCCC1(C)C
InChIInChI=1S/C9H17N/c1-9(2)7-5-4-6-8(9)10-3/h4-7H2,1-3H3/b10-8+
InChIKeyUNJMREPJCJNNEW-CSKARUKUSA-N
MW139.24 g/mol
LogP2.66
Rot. Bonds

About N,2,2-trimethylcyclohexan-1-imine

N,2,2-trimethylcyclohexan-1-imine (PubChem CID 12526247) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,2,2-trimethylcyclohexan-1-imine.

Molecular Properties

Compound NameN,2,2-trimethylcyclohexan-1-imine
PubChem CID12526247
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,2,2-trimethylcyclohexan-1-imine
SMILESC/N=C1\CCCCC1(C)C
InChIInChI=1S/C9H17N/c1-9(2)7-5-4-6-8(9)10-3/h4-7H2,1-3H3/b10-8+
InChIKeyUNJMREPJCJNNEW-CSKARUKUSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.66
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,2,2-trimethylcyclohexan-1-imine?
The IUPAC name of N,2,2-trimethylcyclohexan-1-imine (CID 12526247) is N,2,2-trimethylcyclohexan-1-imine.
What is the SMILES notation for N,2,2-trimethylcyclohexan-1-imine?
The canonical SMILES for N,2,2-trimethylcyclohexan-1-imine is C/N=C1\CCCCC1(C)C.
What is the InChIKey of N,2,2-trimethylcyclohexan-1-imine?
The InChIKey is UNJMREPJCJNNEW-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)7-5-4-6-8(9)10-3/h4-7H2,1-3H3/b10-8+.
What are the key properties of N,2,2-trimethylcyclohexan-1-imine?
N,2,2-trimethylcyclohexan-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethylcyclohexan-1-imine is sourced from PubChem (CID 12526247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).