(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine

C10H15N3O — CID 119092948

IUPAC(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine
SMILESCN(C/C(CN)=N/O)c1ccccc1
InChIInChI=1S/C10H15N3O/c1-13(8-9(7-11)12-14)10-5-3-2-4-6-10/h2-6,14H,7-8,11H2,1H3/b12-9+
InChIKeyNAWDFKYPLFSJHM-FMIVXFBMSA-N
MW193.25 g/mol
LogP0.91
Rot. Bonds4

About (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine

(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine (PubChem CID 119092948) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine
PubChem CID119092948
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine
SMILESCN(C/C(CN)=N/O)c1ccccc1
InChIInChI=1S/C10H15N3O/c1-13(8-9(7-11)12-14)10-5-3-2-4-6-10/h2-6,14H,7-8,11H2,1H3/b12-9+
InChIKeyNAWDFKYPLFSJHM-FMIVXFBMSA-N
XLogP0.91
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.91
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

N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine
CID 86738152
4-(N-methylanilino)-3-oxobutanal
CID 134923271
N-methyl-N-(2-trimethylsilylprop-2-enyl)aniline
CID 134905924
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide
CID 106745548
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N,N-dimethylaniline;phenylmethanamine
CID 159620878
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid
CID 70231185

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine (CID 119092948) is (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine is CN(C/C(CN)=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine?
The InChIKey is NAWDFKYPLFSJHM-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13(8-9(7-11)12-14)10-5-3-2-4-6-10/h2-6,14H,7-8,11H2,1H3/b12-9+.
What are the key properties of (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 119092948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).