(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine

C24H32N2O2 — CID 7408885

IUPAC(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine
SMILESCCCCCC(/C=N\N=C/C(=C/c1ccco1)CCCCC)=C/c1ccco1
InChIInChI=1S/C24H32N2O2/c1-3-5-7-11-21(17-23-13-9-15-27-23)19-25-26-20-22(12-8-6-4-2)18-24-14-10-16-28-24/h9-10,13-20H,3-8,11-12H2,1-2H3/b21-17-,22-18+,25-19-,26-20-
InChIKeyPQWFCXHFSZVONA-MCPVEMPPSA-N
MW380.53 g/mol
LogP7.56
Rot. Bonds13

About (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine

(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine (PubChem CID 7408885) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine.

Molecular Properties

Compound Name(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine
PubChem CID7408885
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine
SMILESCCCCCC(/C=N\N=C/C(=C/c1ccco1)CCCCC)=C/c1ccco1
InChIInChI=1S/C24H32N2O2/c1-3-5-7-11-21(17-23-13-9-15-27-23)19-25-26-20-22(12-8-6-4-2)18-24-14-10-16-28-24/h9-10,13-20H,3-8,11-12H2,1-2H3/b21-17-,22-18+,25-19-,26-20-
InChIKeyPQWFCXHFSZVONA-MCPVEMPPSA-N
XLogP7.56
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-2-methylprop-2-enal;heptanoic acid
CID 174912705
(Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one
CID 15535984
(E,4Z)-4-(furan-2-ylmethylidene)docos-13-enoic acid
CID 59928970
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]dodecanamide
CID 5101537
2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol
CID 136678687
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
2-tridec-1-enylfuran
CID 76580057
1-(furan-2-yl)undecan-1-one
CID 15721327
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
CID 171377962
CID 171377962
(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 55254010

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine?
The IUPAC name of (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine (CID 7408885) is (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine.
What is the SMILES notation for (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine?
The canonical SMILES for (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine is CCCCCC(/C=N\N=C/C(=C/c1ccco1)CCCCC)=C/c1ccco1.
What is the InChIKey of (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine?
The InChIKey is PQWFCXHFSZVONA-MCPVEMPPSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-5-7-11-21(17-23-13-9-15-27-23)19-25-26-20-22(12-8-6-4-2)18-24-14-10-16-28-24/h9-10,13-20H,3-8,11-12H2,1-2H3/b21-17-,22-18+,25-19-,26-20-.
What are the key properties of (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine?
(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine has a molecular weight of 380.53 g/mol, XLogP of 7.56, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine is sourced from PubChem (CID 7408885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).