1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol

C11H23NO2 — CID 116523432

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-9(13)7-12(4)8-10-5-6-11(2,3)14-10/h9-10,13H,5-8H2,1-4H3
InChIKeyIGEVTTRHZGNNEK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds4

About 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol

1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol (PubChem CID 116523432) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
PubChem CID116523432
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-9(13)7-12(4)8-10-5-6-11(2,3)14-10/h9-10,13H,5-8H2,1-4H3
InChIKeyIGEVTTRHZGNNEK-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100
4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
CID 116522700
N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 116522137
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile
CID 116521807
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 116522909
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856126
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanimidamide
CID 116522034
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 116520965
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid
CID 116522712
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 116520932

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol (CID 116523432) is 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol is CC(O)CN(C)CC1CCC(C)(C)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol?
The InChIKey is IGEVTTRHZGNNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13)7-12(4)8-10-5-6-11(2,3)14-10/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol?
1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 116523432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).