(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine

C13H22N2 — CID 145404879

IUPAC(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine
SMILESC=NN(C)C(=C/C(=C)CC)/C(=C\C)CC
InChIInChI=1S/C13H22N2/c1-7-11(4)10-13(15(6)14-5)12(8-2)9-3/h8,10H,4-5,7,9H2,1-3,6H3/b12-8-,13-10+
InChIKeyMBNMSSKNGUZRGH-FECSTBLZSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds6

About (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine

(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine (PubChem CID 145404879) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine
PubChem CID145404879
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine
SMILESC=NN(C)C(=C/C(=C)CC)/C(=C\C)CC
InChIInChI=1S/C13H22N2/c1-7-11(4)10-13(15(6)14-5)12(8-2)9-3/h8,10H,4-5,7,9H2,1-3,6H3/b12-8-,13-10+
InChIKeyMBNMSSKNGUZRGH-FECSTBLZSA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine
CID 134187793
(Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine
CID 142488462
N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
CID 123566008
(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine
CID 139355968
(3Z,6Z)-N-(3-methylbut-2-en-2-yl)-N-(methylideneamino)octa-1,3,6-trien-2-amine
CID 139373816
(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine
CID 139397574
ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine
CID 143256655
N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
CID 143554337
(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine
CID 155002211
(3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine
CID 155197740
N-[(E)-but-2-en-2-yl]-3,4-dimethyl-N-(methylideneamino)penta-1,3-dien-2-amine
CID 156235550
ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
CID 156853431

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine (CID 145404879) is (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine is C=NN(C)C(=C/C(=C)CC)/C(=C\C)CC.
What is the InChIKey of (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine?
The InChIKey is MBNMSSKNGUZRGH-FECSTBLZSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-11(4)10-13(15(6)14-5)12(8-2)9-3/h8,10H,4-5,7,9H2,1-3,6H3/b12-8-,13-10+.
What are the key properties of (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine?
(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine has a molecular weight of 206.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine is sourced from PubChem (CID 145404879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).