(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine

C9H11N3 — CID 144648561

IUPAC(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine
SMILESC=N/C=C\C=C1/CC=CN=C1N
InChIInChI=1S/C9H11N3/c1-11-6-2-4-8-5-3-7-12-9(8)10/h2-4,6-7H,1,5H2,(H2,10,12)/b6-2-,8-4+
InChIKeyZTRIWNOSDZWBAS-VKDZAETISA-N
MW161.21 g/mol
LogP1.40
Rot. Bonds2

About (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine

(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine (PubChem CID 144648561) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine.

Molecular Properties

Compound Name(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine
PubChem CID144648561
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine
SMILESC=N/C=C\C=C1/CC=CN=C1N
InChIInChI=1S/C9H11N3/c1-11-6-2-4-8-5-3-7-12-9(8)10/h2-4,6-7H,1,5H2,(H2,10,12)/b6-2-,8-4+
InChIKeyZTRIWNOSDZWBAS-VKDZAETISA-N
XLogP1.40
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
CID 142470331
N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 142470342
N'-ethenyl-3-fluorocyclohexa-1,3-diene-1-carboximidamide
CID 164146879
(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine
CID 167098863
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
CID 145143694
3-Prop-2-enylazocin-2-amine
CID 53963453
(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine
CID 67754598
(1-amino-6H-isoquinolin-7-ylidene)methanone
CID 88153364
6,7-Dihydroisoquinolin-1-amine
CID 90254144
N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide
CID 90722831
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
3,4-Di(ethylidene)-5-methylpyridin-2-amine
CID 90910641

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine?
The IUPAC name of (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine (CID 144648561) is (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine.
What is the SMILES notation for (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine?
The canonical SMILES for (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine is C=N/C=C\C=C1/CC=CN=C1N.
What is the InChIKey of (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine?
The InChIKey is ZTRIWNOSDZWBAS-VKDZAETISA-N. The full InChI is InChI=1S/C9H11N3/c1-11-6-2-4-8-5-3-7-12-9(8)10/h2-4,6-7H,1,5H2,(H2,10,12)/b6-2-,8-4+.
What are the key properties of (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine?
(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine has a molecular weight of 161.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine is sourced from PubChem (CID 144648561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).