(NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine

C7H14N2O — CID 15644929

IUPAC(NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine
SMILESC=CCN(C)C/C(C)=N/O
InChIInChI=1S/C7H14N2O/c1-4-5-9(3)6-7(2)8-10/h4,10H,1,5-6H2,2-3H3/b8-7+
InChIKeyOQFFXYRHUXBIFS-BQYQJAHWSA-N
MW142.20 g/mol
LogP0.95
Rot. Bonds4

About (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine (PubChem CID 15644929) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine
PubChem CID15644929
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine
SMILESC=CCN(C)C/C(C)=N/O
InChIInChI=1S/C7H14N2O/c1-4-5-9(3)6-7(2)8-10/h4,10H,1,5-6H2,2-3H3/b8-7+
InChIKeyOQFFXYRHUXBIFS-BQYQJAHWSA-N
XLogP0.95
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine (CID 15644929) is (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine is C=CCN(C)C/C(C)=N/O.
What is the InChIKey of (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine?
The InChIKey is OQFFXYRHUXBIFS-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-5-9(3)6-7(2)8-10/h4,10H,1,5-6H2,2-3H3/b8-7+.
What are the key properties of (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine has a molecular weight of 142.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[methyl(prop-2-enyl)amino]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 15644929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).