5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine

C14H19N3 — CID 143241239

IUPAC5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine
SMILESC=C/C(C)=C/N(/N=C\C)c1ccc(CC)cn1
InChIInChI=1S/C14H19N3/c1-5-12(4)11-17(16-7-3)14-9-8-13(6-2)10-15-14/h5,7-11H,1,6H2,2-4H3/b12-11+,16-7-
InChIKeyGATAAOAJVWOJJO-NYEWPCBHSA-N
MW229.33 g/mol
LogP3.55
Rot. Bonds5

About 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine

5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine (PubChem CID 143241239) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine
PubChem CID143241239
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine
SMILESC=C/C(C)=C/N(/N=C\C)c1ccc(CC)cn1
InChIInChI=1S/C14H19N3/c1-5-12(4)11-17(16-7-3)14-9-8-13(6-2)10-15-14/h5,7-11H,1,6H2,2-4H3/b12-11+,16-7-
InChIKeyGATAAOAJVWOJJO-NYEWPCBHSA-N
XLogP3.55
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-[(1E)-buta-1,3-dienyl]-5-ethyl-N-(methylideneamino)pyridin-2-amine;ethane
CID 143067777
1-(5-ethyl-2-pyridinyl)-1-[(Z)-prop-1-enyl]hydrazine
CID 143067752
N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine
CID 143324238
5-ethyl-2-[(3E)-hexa-1,3,5-trien-3-yl]pyridine
CID 177047395
5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine
CID 59499015
N,5-diethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 170641269
4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline
CID 144999092
1,4-bis(4-ethylphenyl)benzene;bis(2-methylbuta-1,3-diene)
CID 145217101
2-N-ethenyl-2-N-[(Z)-hexan-2-ylideneamino]pyridine-2,5-diamine
CID 134458210
2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
CID 56710868
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
(5-ethyl-2-pyridinyl) hypoiodite
CID 67989339

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine?
The IUPAC name of 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine (CID 143241239) is 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine.
What is the SMILES notation for 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine?
The canonical SMILES for 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine is C=C/C(C)=C/N(/N=C\C)c1ccc(CC)cn1.
What is the InChIKey of 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine?
The InChIKey is GATAAOAJVWOJJO-NYEWPCBHSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-12(4)11-17(16-7-3)14-9-8-13(6-2)10-15-14/h5,7-11H,1,6H2,2-4H3/b12-11+,16-7-.
What are the key properties of 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine?
5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(Z)-ethylideneamino]-N-[(1E)-2-methylbuta-1,3-dienyl]pyridin-2-amine is sourced from PubChem (CID 143241239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).