[methyl-(propan-2-ylideneamino)amino]methanol

C5H12N2O — CID 90210910

IUPAC[methyl-(propan-2-ylideneamino)amino]methanol
SMILESCC(C)=NN(C)CO
InChIInChI=1S/C5H12N2O/c1-5(2)6-7(3)4-8/h8H,4H2,1-3H3
InChIKeyJYDFXGIUYVIVHS-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.26
Rot. Bonds2

About [methyl-(propan-2-ylideneamino)amino]methanol

[methyl-(propan-2-ylideneamino)amino]methanol (PubChem CID 90210910) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is [methyl-(propan-2-ylideneamino)amino]methanol.

Molecular Properties

Compound Name[methyl-(propan-2-ylideneamino)amino]methanol
PubChem CID90210910
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name[methyl-(propan-2-ylideneamino)amino]methanol
SMILESCC(C)=NN(C)CO
InChIInChI=1S/C5H12N2O/c1-5(2)6-7(3)4-8/h8H,4H2,1-3H3
InChIKeyJYDFXGIUYVIVHS-UHFFFAOYSA-N
XLogP0.26
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-(propan-2-ylideneamino)amino]methanol?
The IUPAC name of [methyl-(propan-2-ylideneamino)amino]methanol (CID 90210910) is [methyl-(propan-2-ylideneamino)amino]methanol.
What is the SMILES notation for [methyl-(propan-2-ylideneamino)amino]methanol?
The canonical SMILES for [methyl-(propan-2-ylideneamino)amino]methanol is CC(C)=NN(C)CO.
What is the InChIKey of [methyl-(propan-2-ylideneamino)amino]methanol?
The InChIKey is JYDFXGIUYVIVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(2)6-7(3)4-8/h8H,4H2,1-3H3.
What are the key properties of [methyl-(propan-2-ylideneamino)amino]methanol?
[methyl-(propan-2-ylideneamino)amino]methanol has a molecular weight of 116.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(propan-2-ylideneamino)amino]methanol is sourced from PubChem (CID 90210910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).