(2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine

C17H20N2 — CID 129161226

IUPAC(2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine
SMILESC=CC(=C)/C=C\C(=C)/C=C\C=N\C(=C)C(=C)/N=C/C
InChIInChI=1S/C17H20N2/c1-7-14(3)11-12-15(4)10-9-13-19-17(6)16(5)18-8-2/h7-13H,1,3-6H2,2H3/b10-9-,12-11-,18-8+,19-13+
InChIKeyKOFHHHYYWZUNDU-CDKDYUDKSA-N
MW252.36 g/mol
LogP4.59
Rot. Bonds8

About (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine

(2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine (PubChem CID 129161226) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine.

Molecular Properties

Compound Name(2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine
PubChem CID129161226
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine
SMILESC=CC(=C)/C=C\C(=C)/C=C\C=N\C(=C)C(=C)/N=C/C
InChIInChI=1S/C17H20N2/c1-7-14(3)11-12-15(4)10-9-13-19-17(6)16(5)18-8-2/h7-13H,1,3-6H2,2H3/b10-9-,12-11-,18-8+,19-13+
InChIKeyKOFHHHYYWZUNDU-CDKDYUDKSA-N
XLogP4.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
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 (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine?
The IUPAC name of (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine (CID 129161226) is (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine.
What is the SMILES notation for (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine?
The canonical SMILES for (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine is C=CC(=C)/C=C\C(=C)/C=C\C=N\C(=C)C(=C)/N=C/C.
What is the InChIKey of (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine?
The InChIKey is KOFHHHYYWZUNDU-CDKDYUDKSA-N. The full InChI is InChI=1S/C17H20N2/c1-7-14(3)11-12-15(4)10-9-13-19-17(6)16(5)18-8-2/h7-13H,1,3-6H2,2H3/b10-9-,12-11-,18-8+,19-13+.
What are the key properties of (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine?
(2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine has a molecular weight of 252.36 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-N-[3-(ethylideneamino)buta-1,3-dien-2-yl]-4,7-dimethylidenenona-2,5,8-trien-1-imine is sourced from PubChem (CID 129161226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).