(2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide

C11H20N4 — CID 165134874

IUPAC(2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide
SMILESC=NNC(/C=C(C)/C=C\CCC)=N\NC
InChIInChI=1S/C11H20N4/c1-5-6-7-8-10(2)9-11(14-12-3)15-13-4/h7-9,13H,3,5-6H2,1-2,4H3,(H,14,15)/b8-7-,10-9+
InChIKeyWQSSWDUHLAKOGI-UQGDGPGGSA-N
MW208.31 g/mol
LogP2.03
Rot. Bonds6

About (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide

(2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide (PubChem CID 165134874) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide
PubChem CID165134874
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide
SMILESC=NNC(/C=C(C)/C=C\CCC)=N\NC
InChIInChI=1S/C11H20N4/c1-5-6-7-8-10(2)9-11(14-12-3)15-13-4/h7-9,13H,3,5-6H2,1-2,4H3,(H,14,15)/b8-7-,10-9+
InChIKeyWQSSWDUHLAKOGI-UQGDGPGGSA-N
XLogP2.03
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-(methylamino)-N-(methylideneamino)ethanimidamide
CID 91523915
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
N'-(methylamino)-N-(methylideneamino)ethanimidamide
CID 126725146
(2Z,4E)-N,3-diethylocta-2,4-dien-2-amine
CID 170325764
(2E,4E)-3-methylnona-2,4-dienoic acid
CID 87750367
(1Z,3E)-N,N,2-trimethylhepta-1,3-dien-1-amine
CID 178028785
(1Z,3E)-N,2-dimethylocta-1,3-dien-1-amine
CID 138648930
(Z)-N-(methylideneamino)hept-2-en-2-amine
CID 134535297
(3E,5Z)-4-methylnona-1,3,5-trien-3-amine
CID 126687303
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
3-methylnona-1,3,5-triene
CID 154088357

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide (CID 165134874) is (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide is C=NNC(/C=C(C)/C=C\CCC)=N\NC.
What is the InChIKey of (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide?
The InChIKey is WQSSWDUHLAKOGI-UQGDGPGGSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-6-7-8-10(2)9-11(14-12-3)15-13-4/h7-9,13H,3,5-6H2,1-2,4H3,(H,14,15)/b8-7-,10-9+.
What are the key properties of (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide?
(2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide has a molecular weight of 208.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide is sourced from PubChem (CID 165134874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).