N,4-dimethylcyclohexan-1-imine

C8H15N — CID 20656382

IUPACN,4-dimethylcyclohexan-1-imine
SMILESCN=C1CCC(C)CC1
InChIInChI=1S/C8H15N/c1-7-3-5-8(9-2)6-4-7/h7H,3-6H2,1-2H3/b9-8-
InChIKeyZGGKSEDEFXSYTF-HJWRWDBZSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds

About N,4-dimethylcyclohexan-1-imine

N,4-dimethylcyclohexan-1-imine (PubChem CID 20656382) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,4-dimethylcyclohexan-1-imine.

Molecular Properties

Compound NameN,4-dimethylcyclohexan-1-imine
PubChem CID20656382
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,4-dimethylcyclohexan-1-imine
SMILESCN=C1CCC(C)CC1
InChIInChI=1S/C8H15N/c1-7-3-5-8(9-2)6-4-7/h7H,3-6H2,1-2H3/b9-8-
InChIKeyZGGKSEDEFXSYTF-HJWRWDBZSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.27
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,4-dimethylcyclohexan-1-imine?
The IUPAC name of N,4-dimethylcyclohexan-1-imine (CID 20656382) is N,4-dimethylcyclohexan-1-imine.
What is the SMILES notation for N,4-dimethylcyclohexan-1-imine?
The canonical SMILES for N,4-dimethylcyclohexan-1-imine is CN=C1CCC(C)CC1.
What is the InChIKey of N,4-dimethylcyclohexan-1-imine?
The InChIKey is ZGGKSEDEFXSYTF-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15N/c1-7-3-5-8(9-2)6-4-7/h7H,3-6H2,1-2H3/b9-8-.
What are the key properties of N,4-dimethylcyclohexan-1-imine?
N,4-dimethylcyclohexan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylcyclohexan-1-imine is sourced from PubChem (CID 20656382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).