N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine

C18H18N4 — CID 70876978

IUPACN-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine
SMILESC(\CCCc1ccccc1)=N\Nc1nncc2ccccc12
InChIInChI=1S/C18H18N4/c1-2-8-15(9-3-1)10-6-7-13-19-21-18-17-12-5-4-11-16(17)14-20-22-18/h1-5,8-9,11-14H,6-7,10H2,(H,21,22)/b19-13-
InChIKeyHKCUULJYSVLBRH-UYRXBGFRSA-N
MW290.37 g/mol
LogP4.05
Rot. Bonds6

About N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine

N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine (PubChem CID 70876978) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine
PubChem CID70876978
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine
SMILESC(\CCCc1ccccc1)=N\Nc1nncc2ccccc12
InChIInChI=1S/C18H18N4/c1-2-8-15(9-3-1)10-6-7-13-19-21-18-17-12-5-4-11-16(17)14-20-22-18/h1-5,8-9,11-14H,6-7,10H2,(H,21,22)/b19-13-
InChIKeyHKCUULJYSVLBRH-UYRXBGFRSA-N
XLogP4.05
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine
CID 7930178
N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
CID 71820462
N-(4-phenylbutan-2-yl)phthalazin-1-amine
CID 60631726
N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6411688
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
(2R,3R,4R,5R,6Z)-6-(phthalazin-1-ylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 93088153
N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine
CID 95185537
2,3-dimethoxy-6-[(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6795285
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine (CID 70876978) is N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine is C(\CCCc1ccccc1)=N\Nc1nncc2ccccc12.
What is the InChIKey of N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine?
The InChIKey is HKCUULJYSVLBRH-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-8-15(9-3-1)10-6-7-13-19-21-18-17-12-5-4-11-16(17)14-20-22-18/h1-5,8-9,11-14H,6-7,10H2,(H,21,22)/b19-13-.
What are the key properties of N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine?
N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine has a molecular weight of 290.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine is sourced from PubChem (CID 70876978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).