N'-[1-(propylideneamino)ethenyl]propanimidamide

C8H15N3 — CID 123863771

IUPACN'-[1-(propylideneamino)ethenyl]propanimidamide
SMILESC=C(N=CCC)N=C(N)CC
InChIInChI=1S/C8H15N3/c1-4-6-10-7(3)11-8(9)5-2/h6H,3-5H2,1-2H3,(H2,9,11)
InChIKeyGBCROOVCBLNIRV-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.71
Rot. Bonds4

About N'-[1-(propylideneamino)ethenyl]propanimidamide

N'-[1-(propylideneamino)ethenyl]propanimidamide (PubChem CID 123863771) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-[1-(propylideneamino)ethenyl]propanimidamide.

Molecular Properties

Compound NameN'-[1-(propylideneamino)ethenyl]propanimidamide
PubChem CID123863771
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-[1-(propylideneamino)ethenyl]propanimidamide
SMILESC=C(N=CCC)N=C(N)CC
InChIInChI=1S/C8H15N3/c1-4-6-10-7(3)11-8(9)5-2/h6H,3-5H2,1-2H3,(H2,9,11)
InChIKeyGBCROOVCBLNIRV-UHFFFAOYSA-N
XLogP1.71
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(propylideneamino)ethenyl]propanimidamide?
The IUPAC name of N'-[1-(propylideneamino)ethenyl]propanimidamide (CID 123863771) is N'-[1-(propylideneamino)ethenyl]propanimidamide.
What is the SMILES notation for N'-[1-(propylideneamino)ethenyl]propanimidamide?
The canonical SMILES for N'-[1-(propylideneamino)ethenyl]propanimidamide is C=C(N=CCC)N=C(N)CC.
What is the InChIKey of N'-[1-(propylideneamino)ethenyl]propanimidamide?
The InChIKey is GBCROOVCBLNIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-6-10-7(3)11-8(9)5-2/h6H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of N'-[1-(propylideneamino)ethenyl]propanimidamide?
N'-[1-(propylideneamino)ethenyl]propanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(propylideneamino)ethenyl]propanimidamide is sourced from PubChem (CID 123863771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).