2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol

C13H27NO2 — CID 104752686

IUPAC2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
SMILESCC(C)CN(CC(O)C1CCOC1)C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)7-14(11(3)4)8-13(15)12-5-6-16-9-12/h10-13,15H,5-9H2,1-4H3
InChIKeyKPVUFPPNMHSSEV-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.75
Rot. Bonds6

About 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol

2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752686) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752686
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
SMILESCC(C)CN(CC(O)C1CCOC1)C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)7-14(11(3)4)8-13(15)12-5-6-16-9-12/h10-13,15H,5-9H2,1-4H3
InChIKeyKPVUFPPNMHSSEV-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methylpropyl(propan-2-yl)amino]-1-(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-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752635
2-[cyclopentyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104753020
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128
N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61377686
2-methyl-N-(oxolan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 21034317
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol (CID 104752686) is 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol is CC(C)CN(CC(O)C1CCOC1)C(C)C.
What is the InChIKey of 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is KPVUFPPNMHSSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)7-14(11(3)4)8-13(15)12-5-6-16-9-12/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol?
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 229.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).