(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide

C14H20N6 — CID 144632252

IUPAC(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide
SMILESC=C/C=C\C(=N/C)C(=N\N)\N=N\CC(=C/C)/N=C/C=C
InChIInChI=1S/C14H20N6/c1-5-8-9-13(16-4)14(19-15)20-18-11-12(7-3)17-10-6-2/h5-10H,1-2,11,15H2,3-4H3/b9-8-,12-7-,16-13+,17-10+,19-14-,20-18+
InChIKeyMTWZDFYCXQWQKA-WLOVEEKGSA-N
MW272.36 g/mol
LogP2.68
Rot. Bonds7

About (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide

(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide (PubChem CID 144632252) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide
PubChem CID144632252
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide
SMILESC=C/C=C\C(=N/C)C(=N\N)\N=N\CC(=C/C)/N=C/C=C
InChIInChI=1S/C14H20N6/c1-5-8-9-13(16-4)14(19-15)20-18-11-12(7-3)17-10-6-2/h5-10H,1-2,11,15H2,3-4H3/b9-8-,12-7-,16-13+,17-10+,19-14-,20-18+
InChIKeyMTWZDFYCXQWQKA-WLOVEEKGSA-N
XLogP2.68
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide?
The IUPAC name of (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide (CID 144632252) is (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide.
What is the SMILES notation for (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide?
The canonical SMILES for (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide is C=C/C=C\C(=N/C)C(=N\N)\N=N\CC(=C/C)/N=C/C=C.
What is the InChIKey of (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide?
The InChIKey is MTWZDFYCXQWQKA-WLOVEEKGSA-N. The full InChI is InChI=1S/C14H20N6/c1-5-8-9-13(16-4)14(19-15)20-18-11-12(7-3)17-10-6-2/h5-10H,1-2,11,15H2,3-4H3/b9-8-,12-7-,16-13+,17-10+,19-14-,20-18+.
What are the key properties of (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide?
(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide has a molecular weight of 272.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide is sourced from PubChem (CID 144632252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).