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

C4H12N2O — CID 124512357

IUPAC(2S)-1-[amino(methyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)N
InChIInChI=1S/C4H12N2O/c1-4(7)3-6(2)5/h4,7H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyFEYHGPPSQCQBPR-BYPYZUCNSA-N
MW104.15 g/mol
LogP-0.83
Rot. Bonds2

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

(2S)-1-[amino(methyl)amino]propan-2-ol (PubChem CID 124512357) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is (2S)-1-[amino(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[amino(methyl)amino]propan-2-ol
PubChem CID124512357
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name(2S)-1-[amino(methyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)N
InChIInChI=1S/C4H12N2O/c1-4(7)3-6(2)5/h4,7H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyFEYHGPPSQCQBPR-BYPYZUCNSA-N
XLogP-0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol
CID 105428978
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
CID 130729630
N-(2-hydroxypropyl)-2-methylprop-2-enehydrazide
CID 174628871
1-[amino(sulfanyl)amino]ethanol
CID 174685104
hydroxylamine;propan-2-ol
CID 22024851
1-(3-methoxy-2-methylpropyl)-1-methylhydrazine
CID 126997518
2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231
1-[bis(trideuteriomethyl)amino]propan-2-ol
CID 121487893

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[amino(methyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[amino(methyl)amino]propan-2-ol (CID 124512357) is (2S)-1-[amino(methyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[amino(methyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[amino(methyl)amino]propan-2-ol is C[C@H](O)CN(C)N.
What is the InChIKey of (2S)-1-[amino(methyl)amino]propan-2-ol?
The InChIKey is FEYHGPPSQCQBPR-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H12N2O/c1-4(7)3-6(2)5/h4,7H,3,5H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-1-[amino(methyl)amino]propan-2-ol?
(2S)-1-[amino(methyl)amino]propan-2-ol has a molecular weight of 104.15 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[amino(methyl)amino]propan-2-ol is sourced from PubChem (CID 124512357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).