(NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine

C12H17N3O — CID 23264843

IUPAC(NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine
SMILESC/C(=N\O)C(C)(C)N/N=C/c1ccccc1
InChIInChI=1S/C12H17N3O/c1-10(14-16)12(2,3)15-13-9-11-7-5-4-6-8-11/h4-9,15-16H,1-3H3/b13-9+,14-10+
InChIKeyFGXCEHKOGKXVSY-UTLPMFLDSA-N
MW219.29 g/mol
LogP2.24
Rot. Bonds4

About (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine

(NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine (PubChem CID 23264843) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine
PubChem CID23264843
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine
SMILESC/C(=N\O)C(C)(C)N/N=C/c1ccccc1
InChIInChI=1S/C12H17N3O/c1-10(14-16)12(2,3)15-13-9-11-7-5-4-6-8-11/h4-9,15-16H,1-3H3/b13-9+,14-10+
InChIKeyFGXCEHKOGKXVSY-UTLPMFLDSA-N
XLogP2.24
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
CID 15259766
N-(benzylideneamino)-2-methyliminopropanamide
CID 123683889
N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine
CID 150998431
N-benzylidenehydroxylamine;ethane
CID 90698406
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
3-[(E)-benzylideneamino]-1,1-dimethylthiourea
CID 13297422
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
[(E)-benzylideneamino]urea
CID 6861419
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(E)-benzylideneamino]butanamide
CID 6872028
1-[(E)-benzylideneamino]-3-(2-methylbutan-2-yl)thiourea
CID 131990785
(2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine
CID 143011668

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine (CID 23264843) is (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine is C/C(=N\O)C(C)(C)N/N=C/c1ccccc1.
What is the InChIKey of (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine?
The InChIKey is FGXCEHKOGKXVSY-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(14-16)12(2,3)15-13-9-11-7-5-4-6-8-11/h4-9,15-16H,1-3H3/b13-9+,14-10+.
What are the key properties of (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine?
(NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine has a molecular weight of 219.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 23264843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).