1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol

C9H22N2O — CID 20833887

IUPAC1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol
SMILESCCC(O)(CN(C)C)CN(C)C
InChIInChI=1S/C9H22N2O/c1-6-9(12,7-10(2)3)8-11(4)5/h12H,6-8H2,1-5H3
InChIKeyLGXKINSUMWHKNZ-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.25
Rot. Bonds5

About 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol

1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol (PubChem CID 20833887) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol
PubChem CID20833887
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol
SMILESCCC(O)(CN(C)C)CN(C)C
InChIInChI=1S/C9H22N2O/c1-6-9(12,7-10(2)3)8-11(4)5/h12H,6-8H2,1-5H3
InChIKeyLGXKINSUMWHKNZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol (CID 20833887) is 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol is CCC(O)(CN(C)C)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol?
The InChIKey is LGXKINSUMWHKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-6-9(12,7-10(2)3)8-11(4)5/h12H,6-8H2,1-5H3.
What are the key properties of 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol?
1-(dimethylamino)-2-[(dimethylamino)methyl]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 1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol is sourced from PubChem (CID 20833887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).