N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline

C14H19N3 — CID 144964111

IUPACN-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline
SMILESC=C/C=C(\C=C)C(NNC)Nc1ccccc1
InChIInChI=1S/C14H19N3/c1-4-9-12(5-2)14(17-15-3)16-13-10-7-6-8-11-13/h4-11,14-17H,1-2H2,3H3/b12-9+
InChIKeySKDKDCPPXAFGGY-FMIVXFBMSA-N
MW229.33 g/mol
LogP2.45
Rot. Bonds7

About N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline

N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline (PubChem CID 144964111) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline.

Molecular Properties

Compound NameN-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline
PubChem CID144964111
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline
SMILESC=C/C=C(\C=C)C(NNC)Nc1ccccc1
InChIInChI=1S/C14H19N3/c1-4-9-12(5-2)14(17-15-3)16-13-10-7-6-8-11-13/h4-11,14-17H,1-2H2,3H3/b12-9+
InChIKeySKDKDCPPXAFGGY-FMIVXFBMSA-N
XLogP2.45
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
CID 142139727
ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
CID 142240938
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
3-anilino-2-methylidenebutanal
CID 71490477
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(2S)-2-anilinobut-3-en-1-ol
CID 130626811
1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
CID 134482693
N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline
CID 143963360
N-[(4Z)-hepta-4,6-dien-3-yl]aniline
CID 88908793
bis[(3E)-hexa-1,3,5-trien-3-yl]-methyl-phenyl-λ4-sulfane
CID 142310236
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline?
The IUPAC name of N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline (CID 144964111) is N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline.
What is the SMILES notation for N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline?
The canonical SMILES for N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline is C=C/C=C(\C=C)C(NNC)Nc1ccccc1.
What is the InChIKey of N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline?
The InChIKey is SKDKDCPPXAFGGY-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-9-12(5-2)14(17-15-3)16-13-10-7-6-8-11-13/h4-11,14-17H,1-2H2,3H3/b12-9+.
What are the key properties of N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline?
N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline is sourced from PubChem (CID 144964111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).