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

C6H16N2O — CID 139754066

IUPAC1-amino-3-methyl-3-(methylamino)butan-2-ol
SMILESCNC(C)(C)C(O)CN
InChIInChI=1S/C6H16N2O/c1-6(2,8-3)5(9)4-7/h5,8-9H,4,7H2,1-3H3
InChIKeyWEULNYZHCBWFCA-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.70
Rot. Bonds3

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

1-amino-3-methyl-3-(methylamino)butan-2-ol (PubChem CID 139754066) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-amino-3-methyl-3-(methylamino)butan-2-ol.

Molecular Properties

Compound Name1-amino-3-methyl-3-(methylamino)butan-2-ol
PubChem CID139754066
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1-amino-3-methyl-3-(methylamino)butan-2-ol
SMILESCNC(C)(C)C(O)CN
InChIInChI=1S/C6H16N2O/c1-6(2,8-3)5(9)4-7/h5,8-9H,4,7H2,1-3H3
InChIKeyWEULNYZHCBWFCA-UHFFFAOYSA-N
XLogP-0.70
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3,3,4-trimethylpentan-2-ol
CID 83694403
1-amino-3-methoxy-3-methylbutan-2-ol
CID 55285086
1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
3,3-dimethyl-1-(methylamino)butan-2-ol
CID 15635078
6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol
CID 90222280
1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol
CID 19706253
2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 89297728
(2S)-3-amino-1,1,1-trifluoropropan-2-ol
CID 2779001
1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol
CID 167261878
N'-tert-butyl-2-fluoropropane-1,3-diamine
CID 130349943
1-amino-3-propylhexane-2,3-diol
CID 90113292
1-amino-4,4-dimethylpentan-3-ol
CID 55283756

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-3-(methylamino)butan-2-ol?
The IUPAC name of 1-amino-3-methyl-3-(methylamino)butan-2-ol (CID 139754066) is 1-amino-3-methyl-3-(methylamino)butan-2-ol.
What is the SMILES notation for 1-amino-3-methyl-3-(methylamino)butan-2-ol?
The canonical SMILES for 1-amino-3-methyl-3-(methylamino)butan-2-ol is CNC(C)(C)C(O)CN.
What is the InChIKey of 1-amino-3-methyl-3-(methylamino)butan-2-ol?
The InChIKey is WEULNYZHCBWFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(2,8-3)5(9)4-7/h5,8-9H,4,7H2,1-3H3.
What are the key properties of 1-amino-3-methyl-3-(methylamino)butan-2-ol?
1-amino-3-methyl-3-(methylamino)butan-2-ol has a molecular weight of 132.21 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-3-(methylamino)butan-2-ol is sourced from PubChem (CID 139754066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).