2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol

C12H25NO2 — CID 65234437

IUPAC2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol
SMILESCCCNC1(CCO)CCOC(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-4-7-13-12(5-8-14)6-9-15-11(2,3)10-12/h13-14H,4-10H2,1-3H3
InChIKeyQIIHDALHMYLKHF-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.70
Rot. Bonds5

About 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol

2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol (PubChem CID 65234437) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol
PubChem CID65234437
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol
SMILESCCCNC1(CCO)CCOC(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-4-7-13-12(5-8-14)6-9-15-11(2,3)10-12/h13-14H,4-10H2,1-3H3
InChIKeyQIIHDALHMYLKHF-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol
CID 65378452
2-[2-(propylamino)-3,4-dihydro-1H-naphthalen-2-yl]ethanol
CID 65234620
4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378225
2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol
CID 65235269
2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
CID 66204769
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114756114
2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol
CID 65234970
2-[1-(2-propyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol
CID 22042453
2-[1-(ethylamino)cyclopentyl]ethanol
CID 64982680
[8-(propylamino)spiro[4.5]decan-8-yl]methanol
CID 114819876
2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
CID 97424908
ethane;2-[(1-ethylcyclopropyl)amino]ethanol
CID 177193430

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol?
The IUPAC name of 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol (CID 65234437) is 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol.
What is the SMILES notation for 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol?
The canonical SMILES for 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol is CCCNC1(CCO)CCOC(C)(C)C1.
What is the InChIKey of 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol?
The InChIKey is QIIHDALHMYLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-13-12(5-8-14)6-9-15-11(2,3)10-12/h13-14H,4-10H2,1-3H3.
What are the key properties of 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol?
2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol is sourced from PubChem (CID 65234437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).