(3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide

C10H15N3O — CID 177034738

IUPAC(3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide
SMILES[H]/N=C(C(N)=O)/C(=C\C=C\C(=C)C)NC
InChIInChI=1S/C10H15N3O/c1-7(2)5-4-6-8(13-3)9(11)10(12)14/h4-6,11,13H,1H2,2-3H3,(H2,12,14)/b5-4+,8-6+,11-9-
InChIKeyBYNCZXLTGVRUCH-HOZSQJEKSA-N
MW193.25 g/mol
LogP0.73
Rot. Bonds5

About (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide

(3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide (PubChem CID 177034738) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide.

Molecular Properties

Compound Name(3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide
PubChem CID177034738
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide
SMILES[H]/N=C(C(N)=O)/C(=C\C=C\C(=C)C)NC
InChIInChI=1S/C10H15N3O/c1-7(2)5-4-6-8(13-3)9(11)10(12)14/h4-6,11,13H,1H2,2-3H3,(H2,12,14)/b5-4+,8-6+,11-9-
InChIKeyBYNCZXLTGVRUCH-HOZSQJEKSA-N
XLogP0.73
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide?
The IUPAC name of (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide (CID 177034738) is (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide.
What is the SMILES notation for (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide?
The canonical SMILES for (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide is [H]/N=C(C(N)=O)/C(=C\C=C\C(=C)C)NC.
What is the InChIKey of (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide?
The InChIKey is BYNCZXLTGVRUCH-HOZSQJEKSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)5-4-6-8(13-3)9(11)10(12)14/h4-6,11,13H,1H2,2-3H3,(H2,12,14)/b5-4+,8-6+,11-9-.
What are the key properties of (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide?
(3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide has a molecular weight of 193.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide is sourced from PubChem (CID 177034738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).