N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine

C11H19N — CID 145471476

IUPACN-(2,6-dimethylcyclohexen-1-yl)propan-1-imine
SMILESCC/C=N/C1=C(C)CCCC1C
InChIInChI=1S/C11H19N/c1-4-8-12-11-9(2)6-5-7-10(11)3/h8-9H,4-7H2,1-3H3/b12-8+
InChIKeyYRZRASZZYMOLDS-XYOKQWHBSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds2

About N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine

N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine (PubChem CID 145471476) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexen-1-yl)propan-1-imine
PubChem CID145471476
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2,6-dimethylcyclohexen-1-yl)propan-1-imine
SMILESCC/C=N/C1=C(C)CCCC1C
InChIInChI=1S/C11H19N/c1-4-8-12-11-9(2)6-5-7-10(11)3/h8-9H,4-7H2,1-3H3/b12-8+
InChIKeyYRZRASZZYMOLDS-XYOKQWHBSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.56
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-(2,6-dimethylcyclohexen-1-yl)propan-1-imine?
The IUPAC name of N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine (CID 145471476) is N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine.
What is the SMILES notation for N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine?
The canonical SMILES for N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine is CC/C=N/C1=C(C)CCCC1C.
What is the InChIKey of N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine?
The InChIKey is YRZRASZZYMOLDS-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19N/c1-4-8-12-11-9(2)6-5-7-10(11)3/h8-9H,4-7H2,1-3H3/b12-8+.
What are the key properties of N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine?
N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine is sourced from PubChem (CID 145471476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).