N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine

C9H17N3 — CID 54058606

IUPACN,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine
SMILESC=CNCN(C=C)CN(C)C=C
InChIInChI=1S/C9H17N3/c1-5-10-8-12(7-3)9-11(4)6-2/h5-7,10H,1-3,8-9H2,4H3
InChIKeyLYAQPJZNBUICID-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.16
Rot. Bonds7

About N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine

N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine (PubChem CID 54058606) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine.

Molecular Properties

Compound NameN,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine
PubChem CID54058606
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine
SMILESC=CNCN(C=C)CN(C)C=C
InChIInChI=1S/C9H17N3/c1-5-10-8-12(7-3)9-11(4)6-2/h5-7,10H,1-3,8-9H2,4H3
InChIKeyLYAQPJZNBUICID-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine?
The IUPAC name of N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine (CID 54058606) is N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine.
What is the SMILES notation for N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine?
The canonical SMILES for N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine is C=CNCN(C=C)CN(C)C=C.
What is the InChIKey of N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine?
The InChIKey is LYAQPJZNBUICID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-10-8-12(7-3)9-11(4)6-2/h5-7,10H,1-3,8-9H2,4H3.
What are the key properties of N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine?
N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine has a molecular weight of 167.26 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(ethenyl)-N'-[[ethenyl(methyl)amino]methyl]methanediamine is sourced from PubChem (CID 54058606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).