(2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol

C10H23NO3 — CID 79254598

IUPAC(2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol
SMILESCOC(OC)C(C)N[C@H](CO)C(C)C
InChIInChI=1S/C10H23NO3/c1-7(2)9(6-12)11-8(3)10(13-4)14-5/h7-12H,6H2,1-5H3/t8?,9-/m1/s1
InChIKeyXXXVRCJYPFDASI-YGPZHTELSA-N
MW205.30 g/mol
LogP0.60
Rot. Bonds7

About (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol

(2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol (PubChem CID 79254598) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol
PubChem CID79254598
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name(2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol
SMILESCOC(OC)C(C)N[C@H](CO)C(C)C
InChIInChI=1S/C10H23NO3/c1-7(2)9(6-12)11-8(3)10(13-4)14-5/h7-12H,6H2,1-5H3/t8?,9-/m1/s1
InChIKeyXXXVRCJYPFDASI-YGPZHTELSA-N
XLogP0.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000
ethyl 2-fluoro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]butanoate
CID 103859840
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
1,1-dimethoxy-N-(methoxymethyl)propan-2-amine
CID 91575191
2-(iodoamino)-3-methylbutan-1-ol
CID 88638908
(2S)-3-methyl-2-(sulfanylamino)butan-1-ol
CID 89196586
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanenitrile
CID 79248876
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
(2S)-1,1-dimethoxy-N-methylpropan-2-amine
CID 11571861
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
CID 79250594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol (CID 79254598) is (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol is COC(OC)C(C)N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol?
The InChIKey is XXXVRCJYPFDASI-YGPZHTELSA-N. The full InChI is InChI=1S/C10H23NO3/c1-7(2)9(6-12)11-8(3)10(13-4)14-5/h7-12H,6H2,1-5H3/t8?,9-/m1/s1.
What are the key properties of (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol?
(2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79254598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).