N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine

C15H22N2 — CID 142967496

IUPACN,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine
SMILESC/N=C/C(C)CC/C=N/C1=CC=C(C)C2CC12
InChIInChI=1S/C15H22N2/c1-11(10-16-3)5-4-8-17-15-7-6-12(2)13-9-14(13)15/h6-8,10-11,13-14H,4-5,9H2,1-3H3/b16-10+,17-8+
InChIKeyHOZIPNSWIQWHBQ-BMSNAKTLSA-N
MW230.35 g/mol
LogP3.65
Rot. Bonds5

About N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine

N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine (PubChem CID 142967496) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine
PubChem CID142967496
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine
SMILESC/N=C/C(C)CC/C=N/C1=CC=C(C)C2CC12
InChIInChI=1S/C15H22N2/c1-11(10-16-3)5-4-8-17-15-7-6-12(2)13-9-14(13)15/h6-8,10-11,13-14H,4-5,9H2,1-3H3/b16-10+,17-8+
InChIKeyHOZIPNSWIQWHBQ-BMSNAKTLSA-N
XLogP3.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine?
The IUPAC name of N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine (CID 142967496) is N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine.
What is the SMILES notation for N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine?
The canonical SMILES for N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine is C/N=C/C(C)CC/C=N/C1=CC=C(C)C2CC12.
What is the InChIKey of N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine?
The InChIKey is HOZIPNSWIQWHBQ-BMSNAKTLSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(10-16-3)5-4-8-17-15-7-6-12(2)13-9-14(13)15/h6-8,10-11,13-14H,4-5,9H2,1-3H3/b16-10+,17-8+.
What are the key properties of N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine?
N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine has a molecular weight of 230.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine is sourced from PubChem (CID 142967496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).