4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol

C9H21NO2 — CID 115873167

IUPAC4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)CC(C)CO
InChIInChI=1S/C9H21NO2/c1-8(7-11)6-10(3)5-4-9(2)12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyKFNHMDWLDRTBEZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.32
Rot. Bonds6

About 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol

4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol (PubChem CID 115873167) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol
PubChem CID115873167
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)CC(C)CO
InChIInChI=1S/C9H21NO2/c1-8(7-11)6-10(3)5-4-9(2)12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyKFNHMDWLDRTBEZ-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 115665678
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride
CID 165448947
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol
CID 115252113
4-[but-2-ynyl(methyl)amino]butan-2-ol
CID 115665847
4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768
4-[9-bromononyl(methyl)amino]butan-2-ol
CID 105343869
N',2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080701
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 111476844

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol (CID 115873167) is 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol is CC(O)CCN(C)CC(C)CO.
What is the InChIKey of 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol?
The InChIKey is KFNHMDWLDRTBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(7-11)6-10(3)5-4-9(2)12/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol?
4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol is sourced from PubChem (CID 115873167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).