1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine

C8H18N4 — CID 89315942

IUPAC1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine
SMILESCCN(C)C(CCN=C=N)NC
InChIInChI=1S/C8H18N4/c1-4-12(3)8(10-2)5-6-11-7-9/h8-10H,4-6H2,1-3H3
InChIKeyKRNMRJKHFHSUAW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds6

About 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine

1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine (PubChem CID 89315942) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine
PubChem CID89315942
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine
SMILESCCN(C)C(CCN=C=N)NC
InChIInChI=1S/C8H18N4/c1-4-12(3)8(10-2)5-6-11-7-9/h8-10H,4-6H2,1-3H3
InChIKeyKRNMRJKHFHSUAW-UHFFFAOYSA-N
XLogP0.63
TPSA51.48 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 ≤ 50.63
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 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine?
The IUPAC name of 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine (CID 89315942) is 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine is CCN(C)C(CCN=C=N)NC.
What is the InChIKey of 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine?
The InChIKey is KRNMRJKHFHSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-4-12(3)8(10-2)5-6-11-7-9/h8-10H,4-6H2,1-3H3.
What are the key properties of 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine?
1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine is sourced from PubChem (CID 89315942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).