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

C7H17NO2 — CID 15348370

IUPAC2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol
SMILESCN(C)CC(C)(CO)CO
InChIInChI=1S/C7H17NO2/c1-7(5-9,6-10)4-8(2)3/h9-10H,4-6H2,1-3H3
InChIKeyMWSMRYINWRINLC-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.46
Rot. Bonds4

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

2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol (PubChem CID 15348370) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol
PubChem CID15348370
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol
SMILESCN(C)CC(C)(CO)CO
InChIInChI=1S/C7H17NO2/c1-7(5-9,6-10)4-8(2)3/h9-10H,4-6H2,1-3H3
InChIKeyMWSMRYINWRINLC-UHFFFAOYSA-N
XLogP-0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol (CID 15348370) is 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol is CN(C)CC(C)(CO)CO.
What is the InChIKey of 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol?
The InChIKey is MWSMRYINWRINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(5-9,6-10)4-8(2)3/h9-10H,4-6H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol?
2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol has a molecular weight of 147.22 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 15348370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).