(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine

C14H20N2 — CID 126695562

IUPAC(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NCC(=C/C)/N=C/C=C
InChIInChI=1S/C14H20N2/c1-5-9-10-13(7-3)16-12-14(8-4)15-11-6-2/h5-11,16H,1-2,12H2,3-4H3/b10-9-,13-7+,14-8-,15-11+
InChIKeyXIXREEWEBOHXNL-HJMVQHPBSA-N
MW216.33 g/mol
LogP3.38
Rot. Bonds7

About (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine

(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine (PubChem CID 126695562) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine
PubChem CID126695562
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NCC(=C/C)/N=C/C=C
InChIInChI=1S/C14H20N2/c1-5-9-10-13(7-3)16-12-14(8-4)15-11-6-2/h5-11,16H,1-2,12H2,3-4H3/b10-9-,13-7+,14-8-,15-11+
InChIKeyXIXREEWEBOHXNL-HJMVQHPBSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine (CID 126695562) is (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine is C=C/C=C\C(=C/C)NCC(=C/C)/N=C/C=C.
What is the InChIKey of (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine?
The InChIKey is XIXREEWEBOHXNL-HJMVQHPBSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-9-10-13(7-3)16-12-14(8-4)15-11-6-2/h5-11,16H,1-2,12H2,3-4H3/b10-9-,13-7+,14-8-,15-11+.
What are the key properties of (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine?
(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine has a molecular weight of 216.33 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 126695562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).