2-[diethylaminomethyl(methyl)amino]propan-1-ol

C9H22N2O — CID 20713557

IUPAC2-[diethylaminomethyl(methyl)amino]propan-1-ol
SMILESCCN(CC)CN(C)C(C)CO
InChIInChI=1S/C9H22N2O/c1-5-11(6-2)8-10(4)9(3)7-12/h9,12H,5-8H2,1-4H3
InChIKeyZNZFKLGUJFUKLN-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.60
Rot. Bonds6

About 2-[diethylaminomethyl(methyl)amino]propan-1-ol

2-[diethylaminomethyl(methyl)amino]propan-1-ol (PubChem CID 20713557) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-[diethylaminomethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[diethylaminomethyl(methyl)amino]propan-1-ol
PubChem CID20713557
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-[diethylaminomethyl(methyl)amino]propan-1-ol
SMILESCCN(CC)CN(C)C(C)CO
InChIInChI=1S/C9H22N2O/c1-5-11(6-2)8-10(4)9(3)7-12/h9,12H,5-8H2,1-4H3
InChIKeyZNZFKLGUJFUKLN-UHFFFAOYSA-N
XLogP0.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[diethylaminomethyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-[diethylaminomethyl(methyl)amino]propan-1-ol (CID 20713557) is 2-[diethylaminomethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-[diethylaminomethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-[diethylaminomethyl(methyl)amino]propan-1-ol is CCN(CC)CN(C)C(C)CO.
What is the InChIKey of 2-[diethylaminomethyl(methyl)amino]propan-1-ol?
The InChIKey is ZNZFKLGUJFUKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-5-11(6-2)8-10(4)9(3)7-12/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-[diethylaminomethyl(methyl)amino]propan-1-ol?
2-[diethylaminomethyl(methyl)amino]propan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethylaminomethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 20713557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).