(Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium

C11H15N4+ — CID 11911272

IUPAC(Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium
SMILESCC(/C=[NH+]\N=C(N)N)=C\c1ccccc1
InChIInChI=1S/C11H14N4/c1-9(8-14-15-11(12)13)7-10-5-3-2-4-6-10/h2-8H,1H3,(H4,12,13,15)/p+1/b9-7+,14-8-
InChIKeyJWXAGPNSDZBUAD-PLIRCIIQSA-O
MW203.27 g/mol
LogP-0.57
Rot. Bonds3

About (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium

(Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium (PubChem CID 11911272) has the molecular formula C11H15N4+ and a molecular weight of 203.27 g/mol. Its IUPAC name is (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium.

Molecular Properties

Compound Name(Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium
PubChem CID11911272
Molecular FormulaC11H15N4+
Molecular Weight203.27 g/mol
Exact Mass203.13
IUPAC Name(Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium
SMILESCC(/C=[NH+]\N=C(N)N)=C\c1ccccc1
InChIInChI=1S/C11H14N4/c1-9(8-14-15-11(12)13)7-10-5-3-2-4-6-10/h2-8H,1H3,(H4,12,13,15)/p+1/b9-7+,14-8-
InChIKeyJWXAGPNSDZBUAD-PLIRCIIQSA-O
XLogP-0.57
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[2-[(Z)-1-amino-2-phenylethenyl]phenyl]-2-phenylethenamine
CID 126612828
1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654558
1,2-bis[(1E,3Z)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654891
3-methyl-4-phenylbut-3-enamide
CID 23660
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
bis(2-methylbuta-1,3-dienylbenzene);styrene
CID 173409204
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
trimethyl-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]silane
CID 10560699
(diaminomethylideneamino)-[(4-methylphenyl)methylidene]azanium
CID 172510521
(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
CID 6069826
(E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine
CID 15892281
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763

Frequently Asked Questions

What is the IUPAC name of (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium?
The IUPAC name of (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium (CID 11911272) is (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium.
What is the SMILES notation for (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium?
The canonical SMILES for (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium is CC(/C=[NH+]\N=C(N)N)=C\c1ccccc1.
What is the InChIKey of (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium?
The InChIKey is JWXAGPNSDZBUAD-PLIRCIIQSA-O. The full InChI is InChI=1S/C11H14N4/c1-9(8-14-15-11(12)13)7-10-5-3-2-4-6-10/h2-8H,1H3,(H4,12,13,15)/p+1/b9-7+,14-8-.
What are the key properties of (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium?
(Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium has a molecular weight of 203.27 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(diaminomethylideneamino)-[(E)-2-methyl-3-phenylprop-2-enylidene]azanium is sourced from PubChem (CID 11911272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).