(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium

C11H15F2N4O+ — CID 11935922

IUPAC(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium
SMILESCc1cc(/C=[NH+]\N=C(N)N)cc(C)c1OC(F)F
InChIInChI=1S/C11H14F2N4O/c1-6-3-8(5-16-17-11(14)15)4-7(2)9(6)18-10(12)13/h3-5,10H,1-2H3,(H4,14,15,17)/p+1/b16-5-
InChIKeyOOXXTUJCDCSQJC-BNCCVWRVSA-O
MW257.26 g/mol
LogP-0.41
Rot. Bonds4

About (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium

(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium (PubChem CID 11935922) has the molecular formula C11H15F2N4O+ and a molecular weight of 257.26 g/mol. Its IUPAC name is (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium.

Molecular Properties

Compound Name(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium
PubChem CID11935922
Molecular FormulaC11H15F2N4O+
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium
SMILESCc1cc(/C=[NH+]\N=C(N)N)cc(C)c1OC(F)F
InChIInChI=1S/C11H14F2N4O/c1-6-3-8(5-16-17-11(14)15)4-7(2)9(6)18-10(12)13/h3-5,10H,1-2H3,(H4,14,15,17)/p+1/b16-5-
InChIKeyOOXXTUJCDCSQJC-BNCCVWRVSA-O
XLogP-0.41
TPSA87.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium
CID 11935921
(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium
CID 135852459
4-[4-(difluoromethoxy)-3,5-dimethylphenyl]but-3-en-1-amine
CID 76997188
4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
CID 171027705
2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine
CID 79339060
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
(3-borono-5-formyl-4-propoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 140931997
tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate
CID 9074714
(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 9017530
(diaminomethylideneamino)-[(3-formyl-2-hydroxy-5-methylphenyl)methylidene]azanium
CID 140931945
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180158
N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015650

Frequently Asked Questions

What is the IUPAC name of (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium?
The IUPAC name of (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium (CID 11935922) is (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium.
What is the SMILES notation for (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium?
The canonical SMILES for (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium is Cc1cc(/C=[NH+]\N=C(N)N)cc(C)c1OC(F)F.
What is the InChIKey of (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium?
The InChIKey is OOXXTUJCDCSQJC-BNCCVWRVSA-O. The full InChI is InChI=1S/C11H14F2N4O/c1-6-3-8(5-16-17-11(14)15)4-7(2)9(6)18-10(12)13/h3-5,10H,1-2H3,(H4,14,15,17)/p+1/b16-5-.
What are the key properties of (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium?
(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium has a molecular weight of 257.26 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium is sourced from PubChem (CID 11935922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).