2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol

C11H25NO2 — CID 19890019

IUPAC2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol
SMILESCCCN(CCC)CC(C)(CO)CO
InChIInChI=1S/C11H25NO2/c1-4-6-12(7-5-2)8-11(3,9-13)10-14/h13-14H,4-10H2,1-3H3
InChIKeyAYWISHWMNHSMNN-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.10
Rot. Bonds8

About 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol

2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol (PubChem CID 19890019) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol
PubChem CID19890019
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol
SMILESCCCN(CCC)CC(C)(CO)CO
InChIInChI=1S/C11H25NO2/c1-4-6-12(7-5-2)8-11(3,9-13)10-14/h13-14H,4-10H2,1-3H3
InChIKeyAYWISHWMNHSMNN-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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Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol (CID 19890019) is 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol is CCCN(CCC)CC(C)(CO)CO.
What is the InChIKey of 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol?
The InChIKey is AYWISHWMNHSMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-6-12(7-5-2)8-11(3,9-13)10-14/h13-14H,4-10H2,1-3H3.
What are the key properties of 2-[(dipropylamino)methyl]-2-methylpropane-1,3-diol?
2-[(dipropylamino)methyl]-2-methylpropane-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-[(dipropylamino)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 19890019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).