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

C12H28N2O2 — CID 106349624

IUPAC3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
SMILESCN(C)CC(O)CNC(CCO)C(C)(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2,3)11(6-7-15)13-8-10(16)9-14(4)5/h10-11,13,15-16H,6-9H2,1-5H3
InChIKeyLHEDAIVELLXQJM-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.30
Rot. Bonds7

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

3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106349624) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106349624
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
SMILESCN(C)CC(O)CNC(CCO)C(C)(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2,3)11(6-7-15)13-8-10(16)9-14(4)5/h10-11,13,15-16H,6-9H2,1-5H3
InChIKeyLHEDAIVELLXQJM-UHFFFAOYSA-N
XLogP0.30
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349684
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
CID 106348997
3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
CID 114176879
3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 103949850
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
1-(dimethylamino)-3-(hexan-3-ylamino)propan-2-ol
CID 62118939
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147183
1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol
CID 115718065
1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine
CID 115876449

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol (CID 106349624) is 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol is CN(C)CC(O)CNC(CCO)C(C)(C)C.
What is the InChIKey of 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is LHEDAIVELLXQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2,3)11(6-7-15)13-8-10(16)9-14(4)5/h10-11,13,15-16H,6-9H2,1-5H3.
What are the key properties of 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106349624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).