2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol

C8H19NO2 — CID 106932287

IUPAC2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC[C@H](C)O
InChIInChI=1S/C8H19NO2/c1-6(2)8(5-10)9-4-7(3)11/h6-11H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyVOTSVSYIAWAIRD-JAMMHHFISA-N
MW161.25 g/mol
LogP-0.03
Rot. Bonds5

About 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol

2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol (PubChem CID 106932287) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
PubChem CID106932287
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC[C@H](C)O
InChIInChI=1S/C8H19NO2/c1-6(2)8(5-10)9-4-7(3)11/h6-11H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyVOTSVSYIAWAIRD-JAMMHHFISA-N
XLogP-0.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
1-(2-methylhex-5-en-3-ylamino)propan-2-ol
CID 2772037
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
CID 79250118
2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid
CID 79266873
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
(2S)-3-methyl-2-(sulfanylamino)butan-1-ol
CID 89196586
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
2-(but-2-ynylamino)-3-methylbutan-1-ol
CID 79249561
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
1-(dichloromethylamino)propan-2-ol
CID 57172655

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol (CID 106932287) is 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)NC[C@H](C)O.
What is the InChIKey of 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol?
The InChIKey is VOTSVSYIAWAIRD-JAMMHHFISA-N. The full InChI is InChI=1S/C8H19NO2/c1-6(2)8(5-10)9-4-7(3)11/h6-11H,4-5H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol?
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol has a molecular weight of 161.25 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 106932287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).