2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol

C9H19NO2 — CID 66039601

IUPAC2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol
SMILESCNCC(C)(O)CC1CCCO1
InChIInChI=1S/C9H19NO2/c1-9(11,7-10-2)6-8-4-3-5-12-8/h8,10-11H,3-7H2,1-2H3
InChIKeyQCFFOPGKPCEUOI-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds4

About 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol

2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol (PubChem CID 66039601) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol
PubChem CID66039601
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol
SMILESCNCC(C)(O)CC1CCCO1
InChIInChI=1S/C9H19NO2/c1-9(11,7-10-2)6-8-4-3-5-12-8/h8,10-11H,3-7H2,1-2H3
InChIKeyQCFFOPGKPCEUOI-UHFFFAOYSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethylamino)-2-methyl-3-(oxolan-2-yl)propan-2-ol
CID 66037769
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
1-(methylamino)-2-(oxolan-2-yl)propan-2-ol
CID 131118863
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol (CID 66039601) is 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol is CNCC(C)(O)CC1CCCO1.
What is the InChIKey of 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol?
The InChIKey is QCFFOPGKPCEUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(11,7-10-2)6-8-4-3-5-12-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol?
2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol is sourced from PubChem (CID 66039601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).