3-(3-hydroxybutylamino)-3-methylpentan-1-ol

C10H23NO2 — CID 106175110

IUPAC3-(3-hydroxybutylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCCC(C)O
InChIInChI=1S/C10H23NO2/c1-4-10(3,6-8-12)11-7-5-9(2)13/h9,11-13H,4-8H2,1-3H3
InChIKeyOPLLEOJEFYUXJY-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.90
Rot. Bonds7

About 3-(3-hydroxybutylamino)-3-methylpentan-1-ol

3-(3-hydroxybutylamino)-3-methylpentan-1-ol (PubChem CID 106175110) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(3-hydroxybutylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxybutylamino)-3-methylpentan-1-ol
PubChem CID106175110
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-(3-hydroxybutylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCCC(C)O
InChIInChI=1S/C10H23NO2/c1-4-10(3,6-8-12)11-7-5-9(2)13/h9,11-13H,4-8H2,1-3H3
InChIKeyOPLLEOJEFYUXJY-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol
CID 106175291
3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid
CID 106175375
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
3-(3-methoxypropylamino)-3-methylpentan-1-ol
CID 103950077
3-(2-methoxypropylamino)-3-methylpentan-1-ol
CID 106175766
4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
CID 111860116
3-methyl-3-[[5-methyl-5-[[(Z)-4-[[3-methyl-7-(3-methylpentan-3-ylamino)heptan-3-yl]amino]but-2-enyl]amino]heptyl]amino]pentan-1-ol
CID 89345127
(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
CID 106329053
3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol
CID 106175254
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
CID 103774810
1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 89292350

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(3-hydroxybutylamino)-3-methylpentan-1-ol (CID 106175110) is 3-(3-hydroxybutylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(3-hydroxybutylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(3-hydroxybutylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NCCC(C)O.
What is the InChIKey of 3-(3-hydroxybutylamino)-3-methylpentan-1-ol?
The InChIKey is OPLLEOJEFYUXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-10(3,6-8-12)11-7-5-9(2)13/h9,11-13H,4-8H2,1-3H3.
What are the key properties of 3-(3-hydroxybutylamino)-3-methylpentan-1-ol?
3-(3-hydroxybutylamino)-3-methylpentan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 106175110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).