N-(methylaminomethyl)-N-propylhydroxylamine

C5H14N2O — CID 89116814

IUPACN-(methylaminomethyl)-N-propylhydroxylamine
SMILESCCCN(O)CNC
InChIInChI=1S/C5H14N2O/c1-3-4-7(8)5-6-2/h6,8H,3-5H2,1-2H3
InChIKeyGAKUEFPVLUXTDO-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.26
Rot. Bonds4

About N-(methylaminomethyl)-N-propylhydroxylamine

N-(methylaminomethyl)-N-propylhydroxylamine (PubChem CID 89116814) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is N-(methylaminomethyl)-N-propylhydroxylamine.

Molecular Properties

Compound NameN-(methylaminomethyl)-N-propylhydroxylamine
PubChem CID89116814
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC NameN-(methylaminomethyl)-N-propylhydroxylamine
SMILESCCCN(O)CNC
InChIInChI=1S/C5H14N2O/c1-3-4-7(8)5-6-2/h6,8H,3-5H2,1-2H3
InChIKeyGAKUEFPVLUXTDO-UHFFFAOYSA-N
XLogP0.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(methylaminomethyl)-N-propylhydroxylamine?
The IUPAC name of N-(methylaminomethyl)-N-propylhydroxylamine (CID 89116814) is N-(methylaminomethyl)-N-propylhydroxylamine.
What is the SMILES notation for N-(methylaminomethyl)-N-propylhydroxylamine?
The canonical SMILES for N-(methylaminomethyl)-N-propylhydroxylamine is CCCN(O)CNC.
What is the InChIKey of N-(methylaminomethyl)-N-propylhydroxylamine?
The InChIKey is GAKUEFPVLUXTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-3-4-7(8)5-6-2/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(methylaminomethyl)-N-propylhydroxylamine?
N-(methylaminomethyl)-N-propylhydroxylamine has a molecular weight of 118.18 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminomethyl)-N-propylhydroxylamine is sourced from PubChem (CID 89116814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).