N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine

C10H15N3 — CID 68785279

IUPACN-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine
SMILESCC1=CCC(=NC2NCCN2)C=C1
InChIInChI=1S/C10H15N3/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-4,10-12H,5-7H2,1H3
InChIKeyNLZOBXXBMKRFNU-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.81
Rot. Bonds1

About N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine

N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine (PubChem CID 68785279) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine
PubChem CID68785279
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine
SMILESCC1=CCC(=NC2NCCN2)C=C1
InChIInChI=1S/C10H15N3/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-4,10-12H,5-7H2,1H3
InChIKeyNLZOBXXBMKRFNU-UHFFFAOYSA-N
XLogP0.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine (CID 68785279) is N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine is CC1=CCC(=NC2NCCN2)C=C1.
What is the InChIKey of N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is NLZOBXXBMKRFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-4,10-12H,5-7H2,1H3.
What are the key properties of N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine?
N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 177.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 68785279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).