(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

C9H15N3 — CID 129060199

IUPAC(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
SMILESC=C/C(N)=C(\C=C/C)C(/N)=N/C
InChIInChI=1S/C9H15N3/c1-4-6-7(8(10)5-2)9(11)12-3/h4-6H,2,10H2,1,3H3,(H2,11,12)/b6-4-,8-7-
InChIKeyDGFBJOJTWJSROV-MOIRPGTBSA-N
MW165.24 g/mol
LogP0.95
Rot. Bonds3

About (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide (PubChem CID 129060199) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
PubChem CID129060199
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
SMILESC=C/C(N)=C(\C=C/C)C(/N)=N/C
InChIInChI=1S/C9H15N3/c1-4-6-7(8(10)5-2)9(11)12-3/h4-6H,2,10H2,1,3H3,(H2,11,12)/b6-4-,8-7-
InChIKeyDGFBJOJTWJSROV-MOIRPGTBSA-N
XLogP0.95
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.95
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The IUPAC name of (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide (CID 129060199) is (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide is C=C/C(N)=C(\C=C/C)C(/N)=N/C.
What is the InChIKey of (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The InChIKey is DGFBJOJTWJSROV-MOIRPGTBSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-6-7(8(10)5-2)9(11)12-3/h4-6H,2,10H2,1,3H3,(H2,11,12)/b6-4-,8-7-.
What are the key properties of (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide has a molecular weight of 165.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide is sourced from PubChem (CID 129060199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).