2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol

C11H23NO3 — CID 116521611

IUPAC2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO3/c1-10(2)5-4-9(15-10)6-12-11(3,7-13)8-14/h9,12-14H,4-8H2,1-3H3
InChIKeyHEIPBPWGFRGQHX-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.28
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol

2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol (PubChem CID 116521611) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
PubChem CID116521611
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO3/c1-10(2)5-4-9(15-10)6-12-11(3,7-13)8-14/h9,12-14H,4-8H2,1-3H3
InChIKeyHEIPBPWGFRGQHX-UHFFFAOYSA-N
XLogP0.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 102897666
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
2-cyclopropyl-3-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 116525154
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
CID 116525290
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 116521687
1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol
CID 106147595
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol (CID 116521611) is 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol is CC(CO)(CO)NCC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol?
The InChIKey is HEIPBPWGFRGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2)5-4-9(15-10)6-12-11(3,7-13)8-14/h9,12-14H,4-8H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol?
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol has a molecular weight of 217.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 116521611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).