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

C11H25NO2 — CID 21119690

IUPAC2-(diethylaminomethyl)-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)CN(CC)CC
InChIInChI=1S/C11H25NO2/c1-4-7-11(9-13,10-14)8-12(5-2)6-3/h13-14H,4-10H2,1-3H3
InChIKeyAKGVHMNMYQIJJB-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.10
Rot. Bonds8

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

2-(diethylaminomethyl)-2-propylpropane-1,3-diol (PubChem CID 21119690) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-2-propylpropane-1,3-diol.

Molecular Properties

Compound Name2-(diethylaminomethyl)-2-propylpropane-1,3-diol
PubChem CID21119690
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-(diethylaminomethyl)-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)CN(CC)CC
InChIInChI=1S/C11H25NO2/c1-4-7-11(9-13,10-14)8-12(5-2)6-3/h13-14H,4-10H2,1-3H3
InChIKeyAKGVHMNMYQIJJB-UHFFFAOYSA-N
XLogP1.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol
CID 21119692
2-[(dimethylamino)methyl]-2-ethylpentan-1-ol
CID 170388129
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2,2-bis(sulfanylmethyl)pentan-1-ol
CID 19373302
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925
2-ethyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]butan-1-ol
CID 79379955
2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 65005129
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
2-(hydroxymethyl)-2-propylpropane-1,3-diol;methanesulfonic acid
CID 86744882
2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
CID 54545518
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-2-propylpropane-1,3-diol?
The IUPAC name of 2-(diethylaminomethyl)-2-propylpropane-1,3-diol (CID 21119690) is 2-(diethylaminomethyl)-2-propylpropane-1,3-diol.
What is the SMILES notation for 2-(diethylaminomethyl)-2-propylpropane-1,3-diol?
The canonical SMILES for 2-(diethylaminomethyl)-2-propylpropane-1,3-diol is CCCC(CO)(CO)CN(CC)CC.
What is the InChIKey of 2-(diethylaminomethyl)-2-propylpropane-1,3-diol?
The InChIKey is AKGVHMNMYQIJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-7-11(9-13,10-14)8-12(5-2)6-3/h13-14H,4-10H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-2-propylpropane-1,3-diol?
2-(diethylaminomethyl)-2-propylpropane-1,3-diol has a molecular weight of 203.33 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-2-propylpropane-1,3-diol is sourced from PubChem (CID 21119690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).