2-(diethylaminomethyl)-2-methylpropane-1,3-diol

C9H21NO2 — CID 14959343

IUPAC2-(diethylaminomethyl)-2-methylpropane-1,3-diol
SMILESCCN(CC)CC(C)(CO)CO
InChIInChI=1S/C9H21NO2/c1-4-10(5-2)6-9(3,7-11)8-12/h11-12H,4-8H2,1-3H3
InChIKeyZRIHBQRZLROJKT-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.32
Rot. Bonds6

About 2-(diethylaminomethyl)-2-methylpropane-1,3-diol

2-(diethylaminomethyl)-2-methylpropane-1,3-diol (PubChem CID 14959343) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(diethylaminomethyl)-2-methylpropane-1,3-diol
PubChem CID14959343
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(diethylaminomethyl)-2-methylpropane-1,3-diol
SMILESCCN(CC)CC(C)(CO)CO
InChIInChI=1S/C9H21NO2/c1-4-10(5-2)6-9(3,7-11)8-12/h11-12H,4-8H2,1-3H3
InChIKeyZRIHBQRZLROJKT-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Diethylamino)-1-propanol
CID 12159
1-Propanol, 3-(dibutylamino)-
CID 74905
3-(Diethylamino)-2,2-dimethylpropan-1-ol
CID 295965
3-(Dimethylamino)-2,2-dimethyl-1-propanol
CID 87919
1-Propanol, 3-(dipropylamino)-
CID 214730
Tripropanolamine
CID 9794123
3,3'-(Methylazanediyl)bis(propan-1-ol)
CID 228352
N-Ethylhomocholine
CID 130040
N,N,N-Triethylhomocholine
CID 193911
N,N-Diethylhomocholine
CID 3082343
2,2-Dimethyl-3-[methyl(propyl)amino]propan-1-ol
CID 62270572
2,2-Dimethyl-3-(methyl(2-methylpropyl)amino)propan-1-ol
CID 62271279

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(diethylaminomethyl)-2-methylpropane-1,3-diol (CID 14959343) is 2-(diethylaminomethyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(diethylaminomethyl)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(diethylaminomethyl)-2-methylpropane-1,3-diol is CCN(CC)CC(C)(CO)CO.
What is the InChIKey of 2-(diethylaminomethyl)-2-methylpropane-1,3-diol?
The InChIKey is ZRIHBQRZLROJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-10(5-2)6-9(3,7-11)8-12/h11-12H,4-8H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-2-methylpropane-1,3-diol?
2-(diethylaminomethyl)-2-methylpropane-1,3-diol has a molecular weight of 175.27 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 14959343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).