(2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine

C17H20N2 — CID 146604711

IUPAC(2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C=C/C)c1cc(=C)ccccc(=C)n1C
InChIInChI=1S/C17H20N2/c1-5-8-16(11-12-18)17-13-14(2)9-6-7-10-15(3)19(17)4/h5-13,18H,2-3H2,1,4H3/b8-5-,9-6-,10-7-,16-11+,17-13-,18-12+
InChIKeyNGLPALRIVMWEFC-JPVRWNHLSA-N
MW252.36 g/mol
LogP2.58
Rot. Bonds3

About (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine

(2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine (PubChem CID 146604711) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine
PubChem CID146604711
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C=C/C)c1cc(=C)ccccc(=C)n1C
InChIInChI=1S/C17H20N2/c1-5-8-16(11-12-18)17-13-14(2)9-6-7-10-15(3)19(17)4/h5-13,18H,2-3H2,1,4H3/b8-5-,9-6-,10-7-,16-11+,17-13-,18-12+
InChIKeyNGLPALRIVMWEFC-JPVRWNHLSA-N
XLogP2.58
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.58
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)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine (CID 146604711) is (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine is [H]/N=C/C=C(\C=C/C)c1cc(=C)ccccc(=C)n1C.
What is the InChIKey of (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine?
The InChIKey is NGLPALRIVMWEFC-JPVRWNHLSA-N. The full InChI is InChI=1S/C17H20N2/c1-5-8-16(11-12-18)17-13-14(2)9-6-7-10-15(3)19(17)4/h5-13,18H,2-3H2,1,4H3/b8-5-,9-6-,10-7-,16-11+,17-13-,18-12+.
What are the key properties of (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine?
(2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine has a molecular weight of 252.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 146604711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).