3-[2-(diethylamino)ethyl-methylamino]propan-1-ol

C10H24N2O — CID 12721794

IUPAC3-[2-(diethylamino)ethyl-methylamino]propan-1-ol
SMILESCCN(CC)CCN(C)CCCO
InChIInChI=1S/C10H24N2O/c1-4-12(5-2)9-8-11(3)7-6-10-13/h13H,4-10H2,1-3H3
InChIKeyOCHDLEXXDPTVEX-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.64
Rot. Bonds8

About 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol

3-[2-(diethylamino)ethyl-methylamino]propan-1-ol (PubChem CID 12721794) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl-methylamino]propan-1-ol
PubChem CID12721794
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-[2-(diethylamino)ethyl-methylamino]propan-1-ol
SMILESCCN(CC)CCN(C)CCCO
InChIInChI=1S/C10H24N2O/c1-4-12(5-2)9-8-11(3)7-6-10-13/h13H,4-10H2,1-3H3
InChIKeyOCHDLEXXDPTVEX-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol?
The IUPAC name of 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol (CID 12721794) is 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol is CCN(CC)CCN(C)CCCO.
What is the InChIKey of 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol?
The InChIKey is OCHDLEXXDPTVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-4-12(5-2)9-8-11(3)7-6-10-13/h13H,4-10H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol?
3-[2-(diethylamino)ethyl-methylamino]propan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 12721794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).