butan-2-ol;1-(methylamino)propan-2-ol

C8H21NO2 — CID 143199215

IUPACbutan-2-ol;1-(methylamino)propan-2-ol
SMILESCCC(C)O.CNCC(C)O
InChIInChI=1S/C4H11NO.C4H10O/c1-4(6)3-5-2;1-3-4(2)5/h4-6H,3H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyMLGOAUMOCNCZTD-UHFFFAOYSA-N
MW163.26 g/mol
LogP0.36
Rot. Bonds3

About butan-2-ol;1-(methylamino)propan-2-ol

butan-2-ol;1-(methylamino)propan-2-ol (PubChem CID 143199215) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is butan-2-ol;1-(methylamino)propan-2-ol.

Molecular Properties

Compound Namebutan-2-ol;1-(methylamino)propan-2-ol
PubChem CID143199215
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Namebutan-2-ol;1-(methylamino)propan-2-ol
SMILESCCC(C)O.CNCC(C)O
InChIInChI=1S/C4H11NO.C4H10O/c1-4(6)3-5-2;1-3-4(2)5/h4-6H,3H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyMLGOAUMOCNCZTD-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-aminopropan-1-ol;1-(methylamino)propan-2-ol
CID 87558046
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
1-(methylamino)propan-2-ol;methyl hydrogen sulfate
CID 175742512
1-(methylamino)butan-2-ol;hydrate
CID 173049330
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;1-(methylamino)propan-2-ol?
The IUPAC name of butan-2-ol;1-(methylamino)propan-2-ol (CID 143199215) is butan-2-ol;1-(methylamino)propan-2-ol.
What is the SMILES notation for butan-2-ol;1-(methylamino)propan-2-ol?
The canonical SMILES for butan-2-ol;1-(methylamino)propan-2-ol is CCC(C)O.CNCC(C)O.
What is the InChIKey of butan-2-ol;1-(methylamino)propan-2-ol?
The InChIKey is MLGOAUMOCNCZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C4H10O/c1-4(6)3-5-2;1-3-4(2)5/h4-6H,3H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;1-(methylamino)propan-2-ol?
butan-2-ol;1-(methylamino)propan-2-ol has a molecular weight of 163.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;1-(methylamino)propan-2-ol is sourced from PubChem (CID 143199215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).