3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol

C11H25NO2 — CID 106349560

IUPAC3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
SMILESCC(O)CCNC(CCO)C(C)(C)C
InChIInChI=1S/C11H25NO2/c1-9(14)5-7-12-10(6-8-13)11(2,3)4/h9-10,12-14H,5-8H2,1-4H3
InChIKeyLNCBOACALMMYSB-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.14
Rot. Bonds6

About 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol

3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106349560) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
PubChem CID106349560
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
SMILESCC(O)CCNC(CCO)C(C)(C)C
InChIInChI=1S/C11H25NO2/c1-9(14)5-7-12-10(6-8-13)11(2,3)4/h9-10,12-14H,5-8H2,1-4H3
InChIKeyLNCBOACALMMYSB-UHFFFAOYSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349684
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
CID 106348997
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470442
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349624
butane-1,3-diol
CID 159666523
4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol
CID 113434725
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 104628271
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol (CID 106349560) is 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol is CC(O)CCNC(CCO)C(C)(C)C.
What is the InChIKey of 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is LNCBOACALMMYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(14)5-7-12-10(6-8-13)11(2,3)4/h9-10,12-14H,5-8H2,1-4H3.
What are the key properties of 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106349560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).