N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine

C12H17N3O — CID 135410624

IUPACN-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine
SMILESCC(C)(C)C(=NN)C(=NO)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-12(2,3)11(14-13)10(15-16)9-7-5-4-6-8-9/h4-8,16H,13H2,1-3H3
InChIKeyVYXQPKMRHYZKIT-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.23
Rot. Bonds2

About N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine

N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine (PubChem CID 135410624) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine
PubChem CID135410624
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine
SMILESCC(C)(C)C(=NN)C(=NO)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-12(2,3)11(14-13)10(15-16)9-7-5-4-6-8-9/h4-8,16H,13H2,1-3H3
InChIKeyVYXQPKMRHYZKIT-UHFFFAOYSA-N
XLogP2.23
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354
(1-hydrazinylidene-1-phenylpropan-2-ylidene)hydrazine
CID 71413419
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
(E,2E)-2-hydrazinylidene-N-methoxy-1-phenylpropan-1-imine
CID 59897267
(2E,3E)-2,3-bis(hydroxyimino)-3-phenylpropanenitrile
CID 136857277
N'-amino-2-methyl-2-phenylpropanimidamide
CID 61363326
N'-aminobenzenecarboximidamide
CID 5474957
N'-hydroxybenzenecarboximidamide
CID 142861747
(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
CID 15259766
N'-hydroxy-4-tritylbenzenecarboximidamide
CID 174553752
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
N-tert-butyl-2,2-dimethyl-1-phenylpropan-1-imine
CID 15739864

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine?
The IUPAC name of N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine (CID 135410624) is N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine.
What is the SMILES notation for N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine?
The canonical SMILES for N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine is CC(C)(C)C(=NN)C(=NO)c1ccccc1.
What is the InChIKey of N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine?
The InChIKey is VYXQPKMRHYZKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,3)11(14-13)10(15-16)9-7-5-4-6-8-9/h4-8,16H,13H2,1-3H3.
What are the key properties of N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine?
N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine has a molecular weight of 219.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinylidene-3,3-dimethyl-1-phenylbutylidene)hydroxylamine is sourced from PubChem (CID 135410624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).