N-(3-aminopropyl)-N-methylhydroxylamine

C4H12N2O — CID 54496497

IUPACN-(3-aminopropyl)-N-methylhydroxylamine
SMILESCN(O)CCCN
InChIInChI=1S/C4H12N2O/c1-6(7)4-2-3-5/h7H,2-5H2,1H3
InChIKeyXZMACBDSJKSGRU-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.34
Rot. Bonds3

About N-(3-aminopropyl)-N-methylhydroxylamine

N-(3-aminopropyl)-N-methylhydroxylamine (PubChem CID 54496497) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylhydroxylamine.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylhydroxylamine
PubChem CID54496497
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC NameN-(3-aminopropyl)-N-methylhydroxylamine
SMILESCN(O)CCCN
InChIInChI=1S/C4H12N2O/c1-6(7)4-2-3-5/h7H,2-5H2,1H3
InChIKeyXZMACBDSJKSGRU-UHFFFAOYSA-N
XLogP-0.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.34
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-methylhydroxylamine?
The IUPAC name of N-(3-aminopropyl)-N-methylhydroxylamine (CID 54496497) is N-(3-aminopropyl)-N-methylhydroxylamine.
What is the SMILES notation for N-(3-aminopropyl)-N-methylhydroxylamine?
The canonical SMILES for N-(3-aminopropyl)-N-methylhydroxylamine is CN(O)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methylhydroxylamine?
The InChIKey is XZMACBDSJKSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-6(7)4-2-3-5/h7H,2-5H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methylhydroxylamine?
N-(3-aminopropyl)-N-methylhydroxylamine has a molecular weight of 104.15 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylhydroxylamine is sourced from PubChem (CID 54496497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).