N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine

C20H22N4 — CID 6418037

IUPACN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22N4/c1-14(15-9-11-17(12-10-15)20(2,3)4)22-24-19-18-8-6-5-7-16(18)13-21-23-19/h5-13H,1-4H3,(H,23,24)/b22-14-
InChIKeySSUDPOUOKXFIFQ-HMAPJEAMSA-N
MW318.42 g/mol
LogP4.76
Rot. Bonds3

About N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine

N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine (PubChem CID 6418037) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine
PubChem CID6418037
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22N4/c1-14(15-9-11-17(12-10-15)20(2,3)4)22-24-19-18-8-6-5-7-16(18)13-21-23-19/h5-13H,1-4H3,(H,23,24)/b22-14-
InChIKeySSUDPOUOKXFIFQ-HMAPJEAMSA-N
XLogP4.76
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.76
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine (CID 6418037) is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine is C/C(=N/Nc1nncc2ccccc12)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine?
The InChIKey is SSUDPOUOKXFIFQ-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H22N4/c1-14(15-9-11-17(12-10-15)20(2,3)4)22-24-19-18-8-6-5-7-16(18)13-21-23-19/h5-13H,1-4H3,(H,23,24)/b22-14-.
What are the key properties of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine?
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine has a molecular weight of 318.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6418037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).