3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol

C11H23NO2 — CID 115887516

IUPAC3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
SMILESCC(C)(C)C(O)CNCC1CCOC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)10(13)7-12-6-9-4-5-14-8-9/h9-10,12-13H,4-8H2,1-3H3
InChIKeyRIMDQVIAGHRKAJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.02
Rot. Bonds4

About 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol

3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol (PubChem CID 115887516) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
PubChem CID115887516
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
SMILESCC(C)(C)C(O)CNCC1CCOC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)10(13)7-12-6-9-4-5-14-8-9/h9-10,12-13H,4-8H2,1-3H3
InChIKeyRIMDQVIAGHRKAJ-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887779
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol
CID 66170060

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol (CID 115887516) is 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol is CC(C)(C)C(O)CNCC1CCOC1.
What is the InChIKey of 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol?
The InChIKey is RIMDQVIAGHRKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)10(13)7-12-6-9-4-5-14-8-9/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol?
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol is sourced from PubChem (CID 115887516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).