2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol

C11H26N2O — CID 104554746

IUPAC2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol
SMILESCNC(C)C(C)(C)CN(C)C(C)CO
InChIInChI=1S/C11H26N2O/c1-9(7-14)13(6)8-11(3,4)10(2)12-5/h9-10,12,14H,7-8H2,1-6H3
InChIKeySPOWJEHFGWVIIW-UHFFFAOYSA-N
MW202.34 g/mol
LogP0.93
Rot. Bonds6

About 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol

2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol (PubChem CID 104554746) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol
PubChem CID104554746
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol
SMILESCNC(C)C(C)(C)CN(C)C(C)CO
InChIInChI=1S/C11H26N2O/c1-9(7-14)13(6)8-11(3,4)10(2)12-5/h9-10,12,14H,7-8H2,1-6H3
InChIKeySPOWJEHFGWVIIW-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 66455555
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
CID 104554726
2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
CID 104554609
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal
CID 104554515
2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
CID 66455172
1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine
CID 112664734
1-N-(2-methoxyethyl)-1-N,3-N,2,2-tetramethylbutane-1,3-diamine
CID 66453869
1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884
1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine
CID 66453647
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol (CID 104554746) is 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol is CNC(C)C(C)(C)CN(C)C(C)CO.
What is the InChIKey of 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol?
The InChIKey is SPOWJEHFGWVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-9(7-14)13(6)8-11(3,4)10(2)12-5/h9-10,12,14H,7-8H2,1-6H3.
What are the key properties of 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol?
2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104554746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).