3-(ethylamino)-1-(methylamino)propan-1-ol

C6H16N2O — CID 118671019

IUPAC3-(ethylamino)-1-(methylamino)propan-1-ol
SMILESCCNCCC(O)NC
InChIInChI=1S/C6H16N2O/c1-3-8-5-4-6(9)7-2/h6-9H,3-5H2,1-2H3
InChIKeyMOLKZBAIRXUZMW-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.48
Rot. Bonds5

About 3-(ethylamino)-1-(methylamino)propan-1-ol

3-(ethylamino)-1-(methylamino)propan-1-ol (PubChem CID 118671019) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 3-(ethylamino)-1-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-1-(methylamino)propan-1-ol
PubChem CID118671019
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name3-(ethylamino)-1-(methylamino)propan-1-ol
SMILESCCNCCC(O)NC
InChIInChI=1S/C6H16N2O/c1-3-8-5-4-6(9)7-2/h6-9H,3-5H2,1-2H3
InChIKeyMOLKZBAIRXUZMW-UHFFFAOYSA-N
XLogP-0.48
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(methylamino)propan-1-ol?
The IUPAC name of 3-(ethylamino)-1-(methylamino)propan-1-ol (CID 118671019) is 3-(ethylamino)-1-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(ethylamino)-1-(methylamino)propan-1-ol?
The canonical SMILES for 3-(ethylamino)-1-(methylamino)propan-1-ol is CCNCCC(O)NC.
What is the InChIKey of 3-(ethylamino)-1-(methylamino)propan-1-ol?
The InChIKey is MOLKZBAIRXUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-3-8-5-4-6(9)7-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(methylamino)propan-1-ol?
3-(ethylamino)-1-(methylamino)propan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(methylamino)propan-1-ol is sourced from PubChem (CID 118671019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).