methyl N-(2-aminoethyl)methanimidate

C4H10N2O — CID 20735797

IUPACmethyl N-(2-aminoethyl)methanimidate
SMILESCO/C=N/CCN
InChIInChI=1S/C4H10N2O/c1-7-4-6-3-2-5/h4H,2-3,5H2,1H3/b6-4+
InChIKeyOZAQDHOSANDBCM-GQCTYLIASA-N
MW102.14 g/mol
LogP-0.38
Rot. Bonds3

About methyl N-(2-aminoethyl)methanimidate

methyl N-(2-aminoethyl)methanimidate (PubChem CID 20735797) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is methyl N-(2-aminoethyl)methanimidate.

Molecular Properties

Compound Namemethyl N-(2-aminoethyl)methanimidate
PubChem CID20735797
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Namemethyl N-(2-aminoethyl)methanimidate
SMILESCO/C=N/CCN
InChIInChI=1S/C4H10N2O/c1-7-4-6-3-2-5/h4H,2-3,5H2,1H3/b6-4+
InChIKeyOZAQDHOSANDBCM-GQCTYLIASA-N
XLogP-0.38
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-chloroethyl)methanimidate
CID 54506744
methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine
CID 142465533
acetic acid;2-(ethylideneamino)ethanamine
CID 174738996
2-(methoxyboranylideneamino)ethanamine
CID 58306021
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
N'-(chloromethyl)-N-propylethane-1,2-diimine
CID 174011052
2-(undec-10-enylideneamino)ethanamine
CID 121341438
ethane;ethane-1,2-diamine;iron(4+)
CID 175586471
(Z)-3-methoxy-2-methylprop-2-en-1-amine
CID 171800320
2-(1,2-dimethoxyethenylsilyl)ethanamine
CID 123537400
2-methoxyethanamine;2-methylprop-2-enal
CID 144696365
1,8-dimethoxyocta-1,3,5,7-tetraene
CID 163444931

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-aminoethyl)methanimidate?
The IUPAC name of methyl N-(2-aminoethyl)methanimidate (CID 20735797) is methyl N-(2-aminoethyl)methanimidate.
What is the SMILES notation for methyl N-(2-aminoethyl)methanimidate?
The canonical SMILES for methyl N-(2-aminoethyl)methanimidate is CO/C=N/CCN.
What is the InChIKey of methyl N-(2-aminoethyl)methanimidate?
The InChIKey is OZAQDHOSANDBCM-GQCTYLIASA-N. The full InChI is InChI=1S/C4H10N2O/c1-7-4-6-3-2-5/h4H,2-3,5H2,1H3/b6-4+.
What are the key properties of methyl N-(2-aminoethyl)methanimidate?
methyl N-(2-aminoethyl)methanimidate has a molecular weight of 102.14 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-aminoethyl)methanimidate is sourced from PubChem (CID 20735797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).