N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine

C12H18N2O2 — CID 88796330

IUPACN-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine
SMILESCc1ccc(OCC(=NO)C(C)(C)N)cc1
InChIInChI=1S/C12H18N2O2/c1-9-4-6-10(7-5-9)16-8-11(14-15)12(2,3)13/h4-7,15H,8,13H2,1-3H3
InChIKeyLOQYGJZVVJIPFL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds4

About N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine

N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine (PubChem CID 88796330) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine
PubChem CID88796330
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine
SMILESCc1ccc(OCC(=NO)C(C)(C)N)cc1
InChIInChI=1S/C12H18N2O2/c1-9-4-6-10(7-5-9)16-8-11(14-15)12(2,3)13/h4-7,15H,8,13H2,1-3H3
InChIKeyLOQYGJZVVJIPFL-UHFFFAOYSA-N
XLogP1.94
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
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

2-(4-methylphenoxy)ethanethioamide
CID 7745454
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
(NZ)-N-[2-amino-2-methyl-1-(4-methylphenyl)propylidene]hydroxylamine
CID 12586213
2,2-dimethyl-4-(4-methylphenoxy)butanethioamide
CID 65248723
1-(4-ethoxyphenyl)-1-(4-methylphenyl)ethanamine
CID 62788691
N'-hydroxy-2,2-dimethyl-4-[1-(4-methylphenoxy)propan-2-ylamino]butanimidamide
CID 77062218
2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
CID 79004035
lithium 2-(4-methylphenoxy)acetate
CID 19205665
4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
CID 62041332
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120848140
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(4-ethoxyphenoxy)-N'-hydroxyethanimidamide
CID 24695727

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine (CID 88796330) is N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine is Cc1ccc(OCC(=NO)C(C)(C)N)cc1.
What is the InChIKey of N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine?
The InChIKey is LOQYGJZVVJIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-6-10(7-5-9)16-8-11(14-15)12(2,3)13/h4-7,15H,8,13H2,1-3H3.
What are the key properties of N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine?
N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 88796330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).