(NE)-N-(2-aminobutylidene)hydroxylamine

C4H10N2O — CID 58684640

IUPAC(NE)-N-(2-aminobutylidene)hydroxylamine
SMILESCCC(N)/C=N/O
InChIInChI=1S/C4H10N2O/c1-2-4(5)3-6-7/h3-4,7H,2,5H2,1H3/b6-3+
InChIKeyYZCZZJMIWZIHAL-ZZXKWVIFSA-N
MW102.14 g/mol
LogP0.18
Rot. Bonds2

About (NE)-N-(2-aminobutylidene)hydroxylamine

(NE)-N-(2-aminobutylidene)hydroxylamine (PubChem CID 58684640) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (NE)-N-(2-aminobutylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-aminobutylidene)hydroxylamine
PubChem CID58684640
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(NE)-N-(2-aminobutylidene)hydroxylamine
SMILESCCC(N)/C=N/O
InChIInChI=1S/C4H10N2O/c1-2-4(5)3-6-7/h3-4,7H,2,5H2,1H3/b6-3+
InChIKeyYZCZZJMIWZIHAL-ZZXKWVIFSA-N
XLogP0.18
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.18
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-(2-aminobutylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-aminobutylidene)hydroxylamine (CID 58684640) is (NE)-N-(2-aminobutylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-aminobutylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-aminobutylidene)hydroxylamine is CCC(N)/C=N/O.
What is the InChIKey of (NE)-N-(2-aminobutylidene)hydroxylamine?
The InChIKey is YZCZZJMIWZIHAL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H10N2O/c1-2-4(5)3-6-7/h3-4,7H,2,5H2,1H3/b6-3+.
What are the key properties of (NE)-N-(2-aminobutylidene)hydroxylamine?
(NE)-N-(2-aminobutylidene)hydroxylamine has a molecular weight of 102.14 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-aminobutylidene)hydroxylamine is sourced from PubChem (CID 58684640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).