(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol

C9H21NO — CID 103934964

IUPAC(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
SMILESCCCC(C)N(C)C[C@H](C)O
InChIInChI=1S/C9H21NO/c1-5-6-8(2)10(4)7-9(3)11/h8-9,11H,5-7H2,1-4H3/t8?,9-/m0/s1
InChIKeyWMAITGMEGRXFPF-GKAPJAKFSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds5

About (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol

(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol (PubChem CID 103934964) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
PubChem CID103934964
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
SMILESCCCC(C)N(C)C[C@H](C)O
InChIInChI=1S/C9H21NO/c1-5-6-8(2)10(4)7-9(3)11/h8-9,11H,5-7H2,1-4H3/t8?,9-/m0/s1
InChIKeyWMAITGMEGRXFPF-GKAPJAKFSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[methyl(pentan-2-yl)amino]propan-2-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

(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
1-(methylamino)-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 43571982
4-[2-hydroxypropyl(methyl)amino]pentanoic acid
CID 62332604
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
CID 130729630
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
CID 80544220
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
1-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 43571980
(2R)-pentan-2-ol
CID 7014876
2-methylpentane
CID 7892
2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 62039695
1-N,2-dimethyl-1-N-pentan-2-ylheptane-1,6-diamine
CID 65296066

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol (CID 103934964) is (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol is CCCC(C)N(C)C[C@H](C)O.
What is the InChIKey of (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol?
The InChIKey is WMAITGMEGRXFPF-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-6-8(2)10(4)7-9(3)11/h8-9,11H,5-7H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol?
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 103934964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).