(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine

C6H14N2O — CID 6989523

IUPAC(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine
SMILESCNC(C)(C)/C(C)=N/O
InChIInChI=1S/C6H14N2O/c1-5(8-9)6(2,3)7-4/h7,9H,1-4H3/b8-5+
InChIKeyZNYAYGFZHXQCMX-VMPITWQZSA-N
MW130.19 g/mol
LogP0.83
Rot. Bonds2

About (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine

(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine (PubChem CID 6989523) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine
PubChem CID6989523
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine
SMILESCNC(C)(C)/C(C)=N/O
InChIInChI=1S/C6H14N2O/c1-5(8-9)6(2,3)7-4/h7,9H,1-4H3/b8-5+
InChIKeyZNYAYGFZHXQCMX-VMPITWQZSA-N
XLogP0.83
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine (CID 6989523) is (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine is CNC(C)(C)/C(C)=N/O.
What is the InChIKey of (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine?
The InChIKey is ZNYAYGFZHXQCMX-VMPITWQZSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(8-9)6(2,3)7-4/h7,9H,1-4H3/b8-5+.
What are the key properties of (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine?
(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine has a molecular weight of 130.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 6989523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).