(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide

C9H16N4 — CID 144625552

IUPAC(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide
SMILESC=CC(=C\C(=C)C)/C(=N/N)N(C)N
InChIInChI=1S/C9H16N4/c1-5-8(6-7(2)3)9(12-10)13(4)11/h5-6H,1-2,10-11H2,3-4H3/b8-6+,12-9-
InChIKeyRUYDMJGHNFJJIQ-OHSOCULHSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds3

About (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide

(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide (PubChem CID 144625552) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide
PubChem CID144625552
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide
SMILESC=CC(=C\C(=C)C)/C(=N/N)N(C)N
InChIInChI=1S/C9H16N4/c1-5-8(6-7(2)3)9(12-10)13(4)11/h5-6H,1-2,10-11H2,3-4H3/b8-6+,12-9-
InChIKeyRUYDMJGHNFJJIQ-OHSOCULHSA-N
XLogP0.75
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene
CID 143256761
(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
CID 143846998
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
CID 178001749
(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol
CID 145222265
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide
CID 91219143
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine
CID 143349848
N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide
CID 170027093
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]hydrazine
CID 170144410
(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]hydrazine
CID 91028971

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide (CID 144625552) is (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide is C=CC(=C\C(=C)C)/C(=N/N)N(C)N.
What is the InChIKey of (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide?
The InChIKey is RUYDMJGHNFJJIQ-OHSOCULHSA-N. The full InChI is InChI=1S/C9H16N4/c1-5-8(6-7(2)3)9(12-10)13(4)11/h5-6H,1-2,10-11H2,3-4H3/b8-6+,12-9-.
What are the key properties of (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide?
(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide has a molecular weight of 180.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide is sourced from PubChem (CID 144625552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).