2-(propylideneamino)prop-2-enimidamide

C6H11N3 — CID 123438422

IUPAC2-(propylideneamino)prop-2-enimidamide
SMILES[H]/N=C(\N)C(=C)/N=C/CC
InChIInChI=1S/C6H11N3/c1-3-4-9-5(2)6(7)8/h4H,2-3H2,1H3,(H3,7,8)/b9-4+
InChIKeyIZXCBMHNGZPPQQ-RUDMXATFSA-N
MW125.17 g/mol
LogP0.92
Rot. Bonds3

About 2-(propylideneamino)prop-2-enimidamide

2-(propylideneamino)prop-2-enimidamide (PubChem CID 123438422) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(propylideneamino)prop-2-enimidamide.

Molecular Properties

Compound Name2-(propylideneamino)prop-2-enimidamide
PubChem CID123438422
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(propylideneamino)prop-2-enimidamide
SMILES[H]/N=C(\N)C(=C)/N=C/CC
InChIInChI=1S/C6H11N3/c1-3-4-9-5(2)6(7)8/h4H,2-3H2,1H3,(H3,7,8)/b9-4+
InChIKeyIZXCBMHNGZPPQQ-RUDMXATFSA-N
XLogP0.92
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
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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Related Compounds

Diimino pyrroline
CID 21806954
(E)-2-amino-3-(ethylideneamino)-3-(1-fluoroethenylamino)prop-2-enimidamide
CID 173671341
2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide
CID 89378957
(3E)-3-ethylidenepyrazin-2-imine
CID 126518672
N'-methyl-2-(methylideneamino)prop-2-enimidamide
CID 142901244
[1-Amino-2-(methylideneamino)prop-2-enylidene]azanium
CID 143113029
(Z)-2-(prop-2-enylideneamino)but-2-enimidamide
CID 142880540
(Z)-3-(ethylideneamino)-2-methylbut-2-enimidamide
CID 144057955

Frequently Asked Questions

What is the IUPAC name of 2-(propylideneamino)prop-2-enimidamide?
The IUPAC name of 2-(propylideneamino)prop-2-enimidamide (CID 123438422) is 2-(propylideneamino)prop-2-enimidamide.
What is the SMILES notation for 2-(propylideneamino)prop-2-enimidamide?
The canonical SMILES for 2-(propylideneamino)prop-2-enimidamide is [H]/N=C(\N)C(=C)/N=C/CC.
What is the InChIKey of 2-(propylideneamino)prop-2-enimidamide?
The InChIKey is IZXCBMHNGZPPQQ-RUDMXATFSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-9-5(2)6(7)8/h4H,2-3H2,1H3,(H3,7,8)/b9-4+.
What are the key properties of 2-(propylideneamino)prop-2-enimidamide?
2-(propylideneamino)prop-2-enimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylideneamino)prop-2-enimidamide is sourced from PubChem (CID 123438422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).