N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine

C7H15N3 — CID 143110172

IUPACN'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine
SMILESC=CN(CCN)/N=C\CC
InChIInChI=1S/C7H15N3/c1-3-6-9-10(4-2)7-5-8/h4,6H,2-3,5,7-8H2,1H3/b9-6-
InChIKeyMVQWCKMMQVGYQB-TWGQIWQCSA-N
MW141.22 g/mol
LogP0.79
Rot. Bonds5

About N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine

N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine (PubChem CID 143110172) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine
PubChem CID143110172
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine
SMILESC=CN(CCN)/N=C\CC
InChIInChI=1S/C7H15N3/c1-3-6-9-10(4-2)7-5-8/h4,6H,2-3,5,7-8H2,1H3/b9-6-
InChIKeyMVQWCKMMQVGYQB-TWGQIWQCSA-N
XLogP0.79
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine?
The IUPAC name of N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine (CID 143110172) is N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine.
What is the SMILES notation for N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine?
The canonical SMILES for N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine is C=CN(CCN)/N=C\CC.
What is the InChIKey of N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine?
The InChIKey is MVQWCKMMQVGYQB-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-6-9-10(4-2)7-5-8/h4,6H,2-3,5,7-8H2,1H3/b9-6-.
What are the key properties of N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine?
N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine has a molecular weight of 141.22 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine is sourced from PubChem (CID 143110172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).