3-(methylamino)propan-1-ol

C8H22N2O2 — CID 159064398

IUPAC3-(methylamino)propan-1-ol
SMILESCNCCCO.CNCCCO
InChIInChI=1S/2C4H11NO/c2*1-5-3-2-4-6/h2*5-6H,2-4H2,1H3
InChIKeyJYWJIUJVVXBJJJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP-0.82
Rot. Bonds6

About 3-(methylamino)propan-1-ol

3-(methylamino)propan-1-ol (PubChem CID 159064398) has the molecular formula C8H22N2O2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)propan-1-ol
PubChem CID159064398
Molecular FormulaC8H22N2O2
Molecular Weight178.28 g/mol
Exact Mass178.17
IUPAC Name3-(methylamino)propan-1-ol
SMILESCNCCCO.CNCCCO
InChIInChI=1S/2C4H11NO/c2*1-5-3-2-4-6/h2*5-6H,2-4H2,1H3
InChIKeyJYWJIUJVVXBJJJ-UHFFFAOYSA-N
XLogP-0.82
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)propan-1-ol?
The IUPAC name of 3-(methylamino)propan-1-ol (CID 159064398) is 3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(methylamino)propan-1-ol is CNCCCO.CNCCCO.
What is the InChIKey of 3-(methylamino)propan-1-ol?
The InChIKey is JYWJIUJVVXBJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11NO/c2*1-5-3-2-4-6/h2*5-6H,2-4H2,1H3.
What are the key properties of 3-(methylamino)propan-1-ol?
3-(methylamino)propan-1-ol has a molecular weight of 178.28 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)propan-1-ol is sourced from PubChem (CID 159064398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).