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

C10H23NO2 — CID 79355054

IUPAC(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCCC(C)(C)O
InChIInChI=1S/C10H23NO2/c1-8(2)9(7-12)11-6-5-10(3,4)13/h8-9,11-13H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyVGOURJXNJDNBFV-SECBINFHSA-N
MW189.30 g/mol
LogP0.75
Rot. Bonds6

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

(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol (PubChem CID 79355054) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
PubChem CID79355054
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCCC(C)(C)O
InChIInChI=1S/C10H23NO2/c1-8(2)9(7-12)11-6-5-10(3,4)13/h8-9,11-13H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyVGOURJXNJDNBFV-SECBINFHSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbutan-1-ol
CID 79249473
N'-hydroxy-4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 79249626
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
CID 106723969
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 116615651
4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol
CID 79355880
2-methyl-4-(pentan-2-ylamino)butan-2-ol
CID 79361894
3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol
CID 114986046
methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate
CID 79360906
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol (CID 79355054) is (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCCC(C)(C)O.
What is the InChIKey of (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol?
The InChIKey is VGOURJXNJDNBFV-SECBINFHSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)9(7-12)11-6-5-10(3,4)13/h8-9,11-13H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol?
(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79355054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).