N-(3-aminopropyl)-N-ethylhydroxylamine

C5H14N2O — CID 20527046

IUPACN-(3-aminopropyl)-N-ethylhydroxylamine
SMILESCCN(CCCN)O
InChIInChI=1S/C5H14N2O/c1-2-7(8)5-3-4-6/h8H,2-6H2,1H3
InChIKeyPSSJNPNXCXFIFF-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.40
Rot. Bonds4

About N-(3-aminopropyl)-N-ethylhydroxylamine

N-(3-aminopropyl)-N-ethylhydroxylamine (PubChem CID 20527046) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethylhydroxylamine.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethylhydroxylamine
PubChem CID20527046
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC NameN-(3-aminopropyl)-N-ethylhydroxylamine
SMILESCCN(CCCN)O
InChIInChI=1S/C5H14N2O/c1-2-7(8)5-3-4-6/h8H,2-6H2,1H3
InChIKeyPSSJNPNXCXFIFF-UHFFFAOYSA-N
XLogP-0.40
TPSA49.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity49

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-aminopropyl)-N-ethylhydroxylamine?
The IUPAC name of N-(3-aminopropyl)-N-ethylhydroxylamine (CID 20527046) is N-(3-aminopropyl)-N-ethylhydroxylamine.
What is the SMILES notation for N-(3-aminopropyl)-N-ethylhydroxylamine?
The canonical SMILES for N-(3-aminopropyl)-N-ethylhydroxylamine is CCN(CCCN)O.
What is the InChIKey of N-(3-aminopropyl)-N-ethylhydroxylamine?
The InChIKey is PSSJNPNXCXFIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-2-7(8)5-3-4-6/h8H,2-6H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethylhydroxylamine?
N-(3-aminopropyl)-N-ethylhydroxylamine has a molecular weight of 118.18 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethylhydroxylamine is sourced from PubChem (CID 20527046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).