4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol

C10H21NO2 — CID 82748524

IUPAC4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)C1CCOC1C
InChIInChI=1S/C10H21NO2/c1-8(12)4-6-11(3)10-5-7-13-9(10)2/h8-10,12H,4-7H2,1-3H3
InChIKeyPORSSFSSYZETCO-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds4

About 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol

4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol (PubChem CID 82748524) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
PubChem CID82748524
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)C1CCOC1C
InChIInChI=1S/C10H21NO2/c1-8(12)4-6-11(3)10-5-7-13-9(10)2/h8-10,12H,4-7H2,1-3H3
InChIKeyPORSSFSSYZETCO-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82753878
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743779
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
1-(3-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743304
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
CID 82743312
1-cyclopentyl-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 104753050
1-[methyl-(2-methyloxolan-3-yl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 82734140

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol?
The IUPAC name of 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol (CID 82748524) is 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol is CC(O)CCN(C)C1CCOC1C.
What is the InChIKey of 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol?
The InChIKey is PORSSFSSYZETCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(12)4-6-11(3)10-5-7-13-9(10)2/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol?
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol is sourced from PubChem (CID 82748524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).