2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol

C13H27NO2 — CID 115728891

IUPAC2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol
SMILESCC(NCC1(CCO)CCOC1)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-11(12(2,3)4)14-9-13(5-7-15)6-8-16-10-13/h11,14-15H,5-10H2,1-4H3
InChIKeyDSLMOZDAQKKHMO-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds5

About 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol

2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol (PubChem CID 115728891) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol
PubChem CID115728891
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol
SMILESCC(NCC1(CCO)CCOC1)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-11(12(2,3)4)14-9-13(5-7-15)6-8-16-10-13/h11,14-15H,5-10H2,1-4H3
InChIKeyDSLMOZDAQKKHMO-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-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

2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol
CID 115728890
2-[(3S)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol
CID 99822742
3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106729994
2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol
CID 133494662
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
1-[(1S,4R)-4-tert-butylcycloheptyl]-3-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]urea
CID 129414071
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
CID 63967172
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol?
The IUPAC name of 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol (CID 115728891) is 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol?
The canonical SMILES for 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol is CC(NCC1(CCO)CCOC1)C(C)(C)C.
What is the InChIKey of 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol?
The InChIKey is DSLMOZDAQKKHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(12(2,3)4)14-9-13(5-7-15)6-8-16-10-13/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol?
2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol is sourced from PubChem (CID 115728891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).