(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol

C7H17NO2 — CID 103789156

IUPAC(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol
SMILESCOCC(C)N[C@@H](C)CO
InChIInChI=1S/C7H17NO2/c1-6(4-9)8-7(2)5-10-3/h6-9H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyLDYDPLGMSVAHOK-PKPIPKONSA-N
MW147.22 g/mol
LogP-0.01
Rot. Bonds5

About (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol

(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol (PubChem CID 103789156) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol
PubChem CID103789156
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol
SMILESCOCC(C)N[C@@H](C)CO
InChIInChI=1S/C7H17NO2/c1-6(4-9)8-7(2)5-10-3/h6-9H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyLDYDPLGMSVAHOK-PKPIPKONSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
3-(1-methoxypropan-2-ylamino)butanenitrile
CID 60914477
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
CID 93082853
N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
CID 115663828
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
(2S)-2-[2-[(2S)-1-hydroxypropan-2-yl]hydrazinyl]propan-1-ol
CID 92556899
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807
1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine
CID 115694532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol?
The IUPAC name of (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol (CID 103789156) is (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol is COCC(C)N[C@@H](C)CO.
What is the InChIKey of (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol?
The InChIKey is LDYDPLGMSVAHOK-PKPIPKONSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(4-9)8-7(2)5-10-3/h6-9H,4-5H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol?
(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol has a molecular weight of 147.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol is sourced from PubChem (CID 103789156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).