2-amino-1-(methylamino)propan-2-ol

C4H12N2O — CID 126635674

IUPAC2-amino-1-(methylamino)propan-2-ol
SMILESCNCC(C)(N)O
InChIInChI=1S/C4H12N2O/c1-4(5,7)3-6-2/h6-7H,3,5H2,1-2H3
InChIKeyFZAUAUXVKBVMRQ-UHFFFAOYSA-N
MW104.15 g/mol
LogP-1.13
Rot. Bonds2

About 2-amino-1-(methylamino)propan-2-ol

2-amino-1-(methylamino)propan-2-ol (PubChem CID 126635674) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-amino-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-amino-1-(methylamino)propan-2-ol
PubChem CID126635674
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name2-amino-1-(methylamino)propan-2-ol
SMILESCNCC(C)(N)O
InChIInChI=1S/C4H12N2O/c1-4(5,7)3-6-2/h6-7H,3,5H2,1-2H3
InChIKeyFZAUAUXVKBVMRQ-UHFFFAOYSA-N
XLogP-1.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminobutan-2-ol;N-methylmethanamine
CID 174452553
2,3,3-trimethyl-1-(methylamino)butan-2-ol
CID 80559172
2-amino-2-(methylaminomethyl)propane-1,3-diol
CID 154814545
3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol
CID 168906606
azane;2-(methylamino)ethane-1,1,1-triol;dihydrate
CID 174619315
2-ethyl-1-N-methylbutane-1,2-diamine
CID 21278322
2-aminobutan-2-ol;propane
CID 174346487
2,4-diamino-4-methylpentan-2-ol
CID 146969207
2-(methylamino)ethane-1,1,1-triol;oxalic acid
CID 87192697
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
bis(2-(methylamino)ethane-1,1,1-triol);oxalic acid
CID 173028375
1-(methylamino)-2-propoxypropan-2-ol
CID 88554257

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(methylamino)propan-2-ol?
The IUPAC name of 2-amino-1-(methylamino)propan-2-ol (CID 126635674) is 2-amino-1-(methylamino)propan-2-ol.
What is the SMILES notation for 2-amino-1-(methylamino)propan-2-ol?
The canonical SMILES for 2-amino-1-(methylamino)propan-2-ol is CNCC(C)(N)O.
What is the InChIKey of 2-amino-1-(methylamino)propan-2-ol?
The InChIKey is FZAUAUXVKBVMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-4(5,7)3-6-2/h6-7H,3,5H2,1-2H3.
What are the key properties of 2-amino-1-(methylamino)propan-2-ol?
2-amino-1-(methylamino)propan-2-ol has a molecular weight of 104.15 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(methylamino)propan-2-ol is sourced from PubChem (CID 126635674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).