5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol

C11H25NO2 — CID 106147089

IUPAC5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
SMILESCCC(O)CNCC(C)(C)CCCO
InChIInChI=1S/C11H25NO2/c1-4-10(14)8-12-9-11(2,3)6-5-7-13/h10,12-14H,4-9H2,1-3H3
InChIKeyDXRFSFUUSBGBMU-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.15
Rot. Bonds8

About 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol

5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147089) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147089
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
SMILESCCC(O)CNCC(C)(C)CCCO
InChIInChI=1S/C11H25NO2/c1-4-10(14)8-12-9-11(2,3)6-5-7-13/h10,12-14H,4-9H2,1-3H3
InChIKeyDXRFSFUUSBGBMU-UHFFFAOYSA-N
XLogP1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147183
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176261
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-(3-methylbut-2-enylamino)pentan-1-ol
CID 106547377
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
4-(2,2-dimethylheptylamino)-3-hydroxybutanoic acid
CID 103259123
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol (CID 106147089) is 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol is CCC(O)CNCC(C)(C)CCCO.
What is the InChIKey of 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is DXRFSFUUSBGBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-10(14)8-12-9-11(2,3)6-5-7-13/h10,12-14H,4-9H2,1-3H3.
What are the key properties of 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).