N'-ethylmethanediimine;methanol

C4H10N2O — CID 172822165

IUPACN'-ethylmethanediimine;methanol
SMILESCCN=C=N.CO
InChIInChI=1S/C3H6N2.CH4O/c1-2-5-3-4;1-2/h4H,2H2,1H3;2H,1H3
InChIKeyUJIHNKXTAHUNKV-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.37
Rot. Bonds1

About N'-ethylmethanediimine;methanol

N'-ethylmethanediimine;methanol (PubChem CID 172822165) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is N'-ethylmethanediimine;methanol.

Molecular Properties

Compound NameN'-ethylmethanediimine;methanol
PubChem CID172822165
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameN'-ethylmethanediimine;methanol
SMILESCCN=C=N.CO
InChIInChI=1S/C3H6N2.CH4O/c1-2-5-3-4;1-2/h4H,2H2,1H3;2H,1H3
InChIKeyUJIHNKXTAHUNKV-UHFFFAOYSA-N
XLogP0.37
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine
CID 159163841
isocyanatoethane;isocyanic acid
CID 87805421
N-methylmethanamine;N'-propylmethanediimine
CID 21287161
N'-(2,2-diethoxyethyl)methanediimine
CID 10749464
carbonic acid;isocyanatoethane
CID 135150871
N'-(2,3-dimethylbutyl)methanediimine
CID 150948733
carbonic acid;isocyanatoethane
CID 159798113
isocyanatoethane;silane
CID 174792418
isothiocyanatoethane;mercury
CID 88726277
N-ethyl-3-(iminomethylideneamino)propan-1-amine
CID 87985378
chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine
CID 175124306
N'-ethyl-N-methylmethanediimine;hydrochloride
CID 174911040

Frequently Asked Questions

What is the IUPAC name of N'-ethylmethanediimine;methanol?
The IUPAC name of N'-ethylmethanediimine;methanol (CID 172822165) is N'-ethylmethanediimine;methanol.
What is the SMILES notation for N'-ethylmethanediimine;methanol?
The canonical SMILES for N'-ethylmethanediimine;methanol is CCN=C=N.CO.
What is the InChIKey of N'-ethylmethanediimine;methanol?
The InChIKey is UJIHNKXTAHUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.CH4O/c1-2-5-3-4;1-2/h4H,2H2,1H3;2H,1H3.
What are the key properties of N'-ethylmethanediimine;methanol?
N'-ethylmethanediimine;methanol has a molecular weight of 102.14 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylmethanediimine;methanol is sourced from PubChem (CID 172822165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).