3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol

C9H22N2O — CID 63698741

IUPAC3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol
SMILESCC(O)C(C)N(C)CCN(C)C
InChIInChI=1S/C9H22N2O/c1-8(9(2)12)11(5)7-6-10(3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyHXIADQABVYQJNR-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.25
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol

3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol (PubChem CID 63698741) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol
PubChem CID63698741
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol
SMILESCC(O)C(C)N(C)CCN(C)C
InChIInChI=1S/C9H22N2O/c1-8(9(2)12)11(5)7-6-10(3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyHXIADQABVYQJNR-UHFFFAOYSA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol
CID 63701171
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
3-[2,2-difluoroethyl(methyl)amino]butan-2-ol
CID 115868925
3-[methyl(2-phenylethyl)amino]butan-2-ol
CID 65485936
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
CID 88826921
CID 88826921
CID 175787026
CID 175787026
CID 173338058
CID 173338058
3-[cyclobutylmethyl(methyl)amino]butan-2-ol
CID 62861360
3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol
CID 114357301
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
diberyllium;hydride;bis(2-methanidylpropane);N,N,N',N'-tetramethylethane-1,2-diamine
CID 135082074

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol (CID 63698741) is 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol is CC(O)C(C)N(C)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol?
The InChIKey is HXIADQABVYQJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(9(2)12)11(5)7-6-10(3)4/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol?
3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol has a molecular weight of 174.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol is sourced from PubChem (CID 63698741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).