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

C10H23NO2 — CID 106349684

IUPAC3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
SMILESC[C@H](O)CNC(CCO)C(C)(C)C
InChIInChI=1S/C10H23NO2/c1-8(13)7-11-9(5-6-12)10(2,3)4/h8-9,11-13H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyDPUFTTOUJODWAG-IENPIDJESA-N
MW189.30 g/mol
LogP0.75
Rot. Bonds5

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

3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106349684) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106349684
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
SMILESC[C@H](O)CNC(CCO)C(C)(C)C
InChIInChI=1S/C10H23NO2/c1-8(13)7-11-9(5-6-12)10(2,3)4/h8-9,11-13H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyDPUFTTOUJODWAG-IENPIDJESA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349624
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
CID 106348997
3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
CID 114176879
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628106
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724
3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628067
3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-phenylpropanoic acid
CID 106349646
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-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol (CID 106349684) is 3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol is C[C@H](O)CNC(CCO)C(C)(C)C.
What is the InChIKey of 3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is DPUFTTOUJODWAG-IENPIDJESA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(13)7-11-9(5-6-12)10(2,3)4/h8-9,11-13H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of 3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106349684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).