N-(cycloheptylideneamino)phthalazin-1-amine

C15H18N4 — CID 4855843

IUPACN-(cycloheptylideneamino)phthalazin-1-amine
SMILESc1ccc2c(NN=C3CCCCCC3)nncc2c1
InChIInChI=1S/C15H18N4/c1-2-4-9-13(8-3-1)17-19-15-14-10-6-5-7-12(14)11-16-18-15/h5-7,10-11H,1-4,8-9H2,(H,18,19)
InChIKeyORRDGAKAGKNECJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.75
Rot. Bonds2

About N-(cycloheptylideneamino)phthalazin-1-amine

N-(cycloheptylideneamino)phthalazin-1-amine (PubChem CID 4855843) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(cycloheptylideneamino)phthalazin-1-amine.

Molecular Properties

Compound NameN-(cycloheptylideneamino)phthalazin-1-amine
PubChem CID4855843
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(cycloheptylideneamino)phthalazin-1-amine
SMILESc1ccc2c(NN=C3CCCCCC3)nncc2c1
InChIInChI=1S/C15H18N4/c1-2-4-9-13(8-3-1)17-19-15-14-10-6-5-7-12(14)11-16-18-15/h5-7,10-11H,1-4,8-9H2,(H,18,19)
InChIKeyORRDGAKAGKNECJ-UHFFFAOYSA-N
XLogP3.75
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cycloheptylideneamino)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)phthalazin-1-amine?
The IUPAC name of N-(cycloheptylideneamino)phthalazin-1-amine (CID 4855843) is N-(cycloheptylideneamino)phthalazin-1-amine.
What is the SMILES notation for N-(cycloheptylideneamino)phthalazin-1-amine?
The canonical SMILES for N-(cycloheptylideneamino)phthalazin-1-amine is c1ccc2c(NN=C3CCCCCC3)nncc2c1.
What is the InChIKey of N-(cycloheptylideneamino)phthalazin-1-amine?
The InChIKey is ORRDGAKAGKNECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-4-9-13(8-3-1)17-19-15-14-10-6-5-7-12(14)11-16-18-15/h5-7,10-11H,1-4,8-9H2,(H,18,19).
What are the key properties of N-(cycloheptylideneamino)phthalazin-1-amine?
N-(cycloheptylideneamino)phthalazin-1-amine has a molecular weight of 254.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)phthalazin-1-amine is sourced from PubChem (CID 4855843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).