4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol

C12H25NO2 — CID 79047027

IUPAC4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
SMILESCN(C)C(C)(C)C(O)CCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-12(2,13(3)4)11(14)8-7-10-6-5-9-15-10/h10-11,14H,5-9H2,1-4H3
InChIKeySUZONLWYMFMPTQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds5

About 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol

4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol (PubChem CID 79047027) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
PubChem CID79047027
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
SMILESCN(C)C(C)(C)C(O)CCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-12(2,13(3)4)11(14)8-7-10-6-5-9-15-10/h10-11,14H,5-9H2,1-4H3
InChIKeySUZONLWYMFMPTQ-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 79064624
4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 116713726
4-(azepan-1-yl)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79051804
4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol
CID 79060808
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
2-N,2-N,3-N,2-tetramethyl-6-(oxolan-2-yl)hexane-2,3-diamine
CID 79054003
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol
CID 114192008
2-[3-(bromomethyl)-4,4-dimethylpentyl]oxolane
CID 83141240

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol?
The IUPAC name of 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol (CID 79047027) is 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol.
What is the SMILES notation for 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol?
The canonical SMILES for 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol is CN(C)C(C)(C)C(O)CCC1CCCO1.
What is the InChIKey of 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol?
The InChIKey is SUZONLWYMFMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,13(3)4)11(14)8-7-10-6-5-9-15-10/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol?
4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol is sourced from PubChem (CID 79047027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).