N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide

C9H16N4 — CID 130337498

IUPACN'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
SMILESC=CN/C(C)=C(\N)C(C)=C/N=C/N
InChIInChI=1S/C9H16N4/c1-4-13-8(3)9(11)7(2)5-12-6-10/h4-6,13H,1,11H2,2-3H3,(H2,10,12)/b7-5?,9-8-
InChIKeyAZKVNRLADFPRSW-RLDRTREZSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds4

About N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide

N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide (PubChem CID 130337498) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
PubChem CID130337498
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
SMILESC=CN/C(C)=C(\N)C(C)=C/N=C/N
InChIInChI=1S/C9H16N4/c1-4-13-8(3)9(11)7(2)5-12-6-10/h4-6,13H,1,11H2,2-3H3,(H2,10,12)/b7-5?,9-8-
InChIKeyAZKVNRLADFPRSW-RLDRTREZSA-N
XLogP0.80
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide (CID 130337498) is N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide is C=CN/C(C)=C(\N)C(C)=C/N=C/N.
What is the InChIKey of N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide?
The InChIKey is AZKVNRLADFPRSW-RLDRTREZSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-13-8(3)9(11)7(2)5-12-6-10/h4-6,13H,1,11H2,2-3H3,(H2,10,12)/b7-5?,9-8-.
What are the key properties of N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide?
N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide has a molecular weight of 180.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 130337498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).