5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol

C12H28N2O2 — CID 106147183

IUPAC5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
SMILESCN(C)CC(O)CNCC(C)(C)CCCO
InChIInChI=1S/C12H28N2O2/c1-12(2,6-5-7-15)10-13-8-11(16)9-14(3)4/h11,13,15-16H,5-10H2,1-4H3
InChIKeyVFHPSATZEATDJV-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.30
Rot. Bonds9

About 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol

5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106147183) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106147183
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
SMILESCN(C)CC(O)CNCC(C)(C)CCCO
InChIInChI=1S/C12H28N2O2/c1-12(2,6-5-7-15)10-13-8-11(16)9-14(3)4/h11,13,15-16H,5-10H2,1-4H3
InChIKeyVFHPSATZEATDJV-UHFFFAOYSA-N
XLogP0.30
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089
(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
CID 61142642
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 106146980
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147203
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol
CID 106146723
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol
CID 76916895
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
5-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 106147082

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol (CID 106147183) is 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol is CN(C)CC(O)CNCC(C)(C)CCCO.
What is the InChIKey of 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is VFHPSATZEATDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2,6-5-7-15)10-13-8-11(16)9-14(3)4/h11,13,15-16H,5-10H2,1-4H3.
What are the key properties of 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 0.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).