N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine

C5H14N2O2 — CID 18471273

IUPACN-[2-(hydroxyamino)pentan-3-yl]hydroxylamine
SMILESCCC(NO)C(C)NO
InChIInChI=1S/C5H14N2O2/c1-3-5(7-9)4(2)6-8/h4-9H,3H2,1-2H3
InChIKeyNOQRTBUCEOATJN-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.11
Rot. Bonds4

About N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine

N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine (PubChem CID 18471273) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(hydroxyamino)pentan-3-yl]hydroxylamine
PubChem CID18471273
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC NameN-[2-(hydroxyamino)pentan-3-yl]hydroxylamine
SMILESCCC(NO)C(C)NO
InChIInChI=1S/C5H14N2O2/c1-3-5(7-9)4(2)6-8/h4-9H,3H2,1-2H3
InChIKeyNOQRTBUCEOATJN-UHFFFAOYSA-N
XLogP0.11
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine?
The IUPAC name of N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine (CID 18471273) is N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine.
What is the SMILES notation for N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine?
The canonical SMILES for N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine is CCC(NO)C(C)NO.
What is the InChIKey of N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine?
The InChIKey is NOQRTBUCEOATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-3-5(7-9)4(2)6-8/h4-9H,3H2,1-2H3.
What are the key properties of N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine?
N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine has a molecular weight of 134.18 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)pentan-3-yl]hydroxylamine is sourced from PubChem (CID 18471273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).