2-amino-3-(diethylamino)propan-1-ol

C7H18N2O — CID 57209208

IUPAC2-amino-3-(diethylamino)propan-1-ol
SMILESCCN(CC)CC(N)CO
InChIInChI=1S/C7H18N2O/c1-3-9(4-2)5-7(8)6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyLKVQLJRHYBBPGM-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.35
Rot. Bonds5

About 2-amino-3-(diethylamino)propan-1-ol

2-amino-3-(diethylamino)propan-1-ol (PubChem CID 57209208) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-amino-3-(diethylamino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(diethylamino)propan-1-ol
PubChem CID57209208
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-amino-3-(diethylamino)propan-1-ol
SMILESCCN(CC)CC(N)CO
InChIInChI=1S/C7H18N2O/c1-3-9(4-2)5-7(8)6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyLKVQLJRHYBBPGM-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(diethylamino)propan-1-ol?
The IUPAC name of 2-amino-3-(diethylamino)propan-1-ol (CID 57209208) is 2-amino-3-(diethylamino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(diethylamino)propan-1-ol?
The canonical SMILES for 2-amino-3-(diethylamino)propan-1-ol is CCN(CC)CC(N)CO.
What is the InChIKey of 2-amino-3-(diethylamino)propan-1-ol?
The InChIKey is LKVQLJRHYBBPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-9(4-2)5-7(8)6-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-amino-3-(diethylamino)propan-1-ol?
2-amino-3-(diethylamino)propan-1-ol has a molecular weight of 146.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(diethylamino)propan-1-ol is sourced from PubChem (CID 57209208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).