1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine

C5H13N3 — CID 58979812

IUPAC1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine
SMILESC=C(NC)NCNC
InChIInChI=1S/C5H13N3/c1-5(7-3)8-4-6-2/h6-8H,1,4H2,2-3H3
InChIKeyQAFWDDBSEUMLJP-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.56
Rot. Bonds4

About 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine

1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine (PubChem CID 58979812) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine
PubChem CID58979812
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine
SMILESC=C(NC)NCNC
InChIInChI=1S/C5H13N3/c1-5(7-3)8-4-6-2/h6-8H,1,4H2,2-3H3
InChIKeyQAFWDDBSEUMLJP-UHFFFAOYSA-N
XLogP-0.56
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.56
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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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine (CID 58979812) is 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine is C=C(NC)NCNC.
What is the InChIKey of 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine?
The InChIKey is QAFWDDBSEUMLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-5(7-3)8-4-6-2/h6-8H,1,4H2,2-3H3.
What are the key properties of 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine?
1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine has a molecular weight of 115.18 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-(methylaminomethyl)ethene-1,1-diamine is sourced from PubChem (CID 58979812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).