(Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine

C13H19N3 — CID 143011685

IUPAC(Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine
SMILESC=N/C=C(\C=C/C)CNC(=C)/N=C\C(=C)C
InChIInChI=1S/C13H19N3/c1-6-7-13(9-14-5)10-16-12(4)15-8-11(2)3/h6-9,16H,2,4-5,10H2,1,3H3/b7-6-,13-9+,15-8-
InChIKeyMARLXSHYHWBTTD-XALATSHHSA-N
MW217.32 g/mol
LogP2.85
Rot. Bonds7

About (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine

(Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine (PubChem CID 143011685) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine
PubChem CID143011685
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine
SMILESC=N/C=C(\C=C/C)CNC(=C)/N=C\C(=C)C
InChIInChI=1S/C13H19N3/c1-6-7-13(9-14-5)10-16-12(4)15-8-11(2)3/h6-9,16H,2,4-5,10H2,1,3H3/b7-6-,13-9+,15-8-
InChIKeyMARLXSHYHWBTTD-XALATSHHSA-N
XLogP2.85
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine?
The IUPAC name of (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine (CID 143011685) is (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine?
The canonical SMILES for (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine is C=N/C=C(\C=C/C)CNC(=C)/N=C\C(=C)C.
What is the InChIKey of (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine?
The InChIKey is MARLXSHYHWBTTD-XALATSHHSA-N. The full InChI is InChI=1S/C13H19N3/c1-6-7-13(9-14-5)10-16-12(4)15-8-11(2)3/h6-9,16H,2,4-5,10H2,1,3H3/b7-6-,13-9+,15-8-.
What are the key properties of (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine?
(Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine is sourced from PubChem (CID 143011685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).