N-[3-(methylamino)propyl]hydroxylamine

C4H12N2O — CID 57304791

IUPACN-[3-(methylamino)propyl]hydroxylamine
SMILESCNCCCNO
InChIInChI=1S/C4H12N2O/c1-5-3-2-4-6-7/h5-7H,2-4H2,1H3
InChIKeyITSUKWZNWGTRII-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.43
Rot. Bonds4

About N-[3-(methylamino)propyl]hydroxylamine

N-[3-(methylamino)propyl]hydroxylamine (PubChem CID 57304791) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]hydroxylamine
PubChem CID57304791
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC NameN-[3-(methylamino)propyl]hydroxylamine
SMILESCNCCCNO
InChIInChI=1S/C4H12N2O/c1-5-3-2-4-6-7/h5-7H,2-4H2,1H3
InChIKeyITSUKWZNWGTRII-UHFFFAOYSA-N
XLogP-0.43
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-[3-(methylamino)propyl]hydroxylamine?
The IUPAC name of N-[3-(methylamino)propyl]hydroxylamine (CID 57304791) is N-[3-(methylamino)propyl]hydroxylamine.
What is the SMILES notation for N-[3-(methylamino)propyl]hydroxylamine?
The canonical SMILES for N-[3-(methylamino)propyl]hydroxylamine is CNCCCNO.
What is the InChIKey of N-[3-(methylamino)propyl]hydroxylamine?
The InChIKey is ITSUKWZNWGTRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-5-3-2-4-6-7/h5-7H,2-4H2,1H3.
What are the key properties of N-[3-(methylamino)propyl]hydroxylamine?
N-[3-(methylamino)propyl]hydroxylamine has a molecular weight of 104.15 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]hydroxylamine is sourced from PubChem (CID 57304791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).