3-methyl-1-(methylamino)butan-2-ol

C6H15NO — CID 15635076

IUPAC3-methyl-1-(methylamino)butan-2-ol
SMILESCNCC(O)C(C)C
InChIInChI=1S/C6H15NO/c1-5(2)6(8)4-7-3/h5-8H,4H2,1-3H3
InChIKeyRAKKFSLKTUFWPV-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.22
Rot. Bonds3

About 3-methyl-1-(methylamino)butan-2-ol

3-methyl-1-(methylamino)butan-2-ol (PubChem CID 15635076) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 3-methyl-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(methylamino)butan-2-ol
PubChem CID15635076
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name3-methyl-1-(methylamino)butan-2-ol
SMILESCNCC(O)C(C)C
InChIInChI=1S/C6H15NO/c1-5(2)6(8)4-7-3/h5-8H,4H2,1-3H3
InChIKeyRAKKFSLKTUFWPV-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Isobutylamino)ethanol
CID 28264
2-((3-Methylbutyl)amino)ethan-1-ol
CID 278477
1-(Methylamino)propan-2-ol
CID 86049
1-(Ethylamino)propan-2-ol
CID 3016164
2-(2-Methylbutylamino)-ethanol
CID 296374
3,3-Dimethyl-1-(methylamino)-2-butanol
CID 15635078
2-Methyl-4-(methylamino)butan-1-ol
CID 12040650
4-(Methylamino)butan-2-ol
CID 12545025
(2R)-1-(methylamino)propan-2-ol
CID 12572574
1-(Methylamino)butan-2-ol
CID 13432441
1-(Ethylamino)butan-2-ol
CID 19804546
4-Methylpyrrolidin-3-ol
CID 19883347

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(methylamino)butan-2-ol (CID 15635076) is 3-methyl-1-(methylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(methylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(methylamino)butan-2-ol is CNCC(O)C(C)C.
What is the InChIKey of 3-methyl-1-(methylamino)butan-2-ol?
The InChIKey is RAKKFSLKTUFWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(2)6(8)4-7-3/h5-8H,4H2,1-3H3.
What are the key properties of 3-methyl-1-(methylamino)butan-2-ol?
3-methyl-1-(methylamino)butan-2-ol has a molecular weight of 117.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylamino)butan-2-ol is sourced from PubChem (CID 15635076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).