3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine

C8H18N4 — CID 18329082

IUPAC3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine
SMILESCCN=C=NCCC(NC)NC
InChIInChI=1S/C8H18N4/c1-4-11-7-12-6-5-8(9-2)10-3/h8-10H,4-6H2,1-3H3
InChIKeyQHXGAGNEAXASFC-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.34
Rot. Bonds6

About 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine

3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine (PubChem CID 18329082) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine
PubChem CID18329082
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine
SMILESCCN=C=NCCC(NC)NC
InChIInChI=1S/C8H18N4/c1-4-11-7-12-6-5-8(9-2)10-3/h8-10H,4-6H2,1-3H3
InChIKeyQHXGAGNEAXASFC-UHFFFAOYSA-N
XLogP0.34
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine?
The IUPAC name of 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine (CID 18329082) is 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine?
The canonical SMILES for 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine is CCN=C=NCCC(NC)NC.
What is the InChIKey of 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine?
The InChIKey is QHXGAGNEAXASFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-4-11-7-12-6-5-8(9-2)10-3/h8-10H,4-6H2,1-3H3.
What are the key properties of 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine?
3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine is sourced from PubChem (CID 18329082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).