2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine

C30H40FN5 — CID 143344314

IUPAC2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine
SMILESC=C(/C=C\C(F)=C(/CC)NC1=C(N)C(=C)C1=C)CNC(=C)/C(C/C=C(\C)C(=C)C)=N/C(C)=C/N=C/C
InChIInChI=1S/C30H40FN5/c1-11-27(36-30-24(9)23(8)29(30)32)26(31)15-13-20(5)17-34-25(10)28(16-14-21(6)19(3)4)35-22(7)18-33-12-2/h12-15,18,34,36H,3,5,8-11,16-17,32H2,1-2,4,6-7H3/b15-13-,21-14+,22-18+,27-26-,33-12+,35-28+
InChIKeyMJGHFRQMCUZUCN-SWYZGQCYSA-N
MW489.68 g/mol
LogP6.98
Rot. Bonds14

About 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine

2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine (PubChem CID 143344314) has the molecular formula C30H40FN5 and a molecular weight of 489.68 g/mol. Its IUPAC name is 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine
PubChem CID143344314
Molecular FormulaC30H40FN5
Molecular Weight489.68 g/mol
Exact Mass489.33
IUPAC Name2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine
SMILESC=C(/C=C\C(F)=C(/CC)NC1=C(N)C(=C)C1=C)CNC(=C)/C(C/C=C(\C)C(=C)C)=N/C(C)=C/N=C/C
InChIInChI=1S/C30H40FN5/c1-11-27(36-30-24(9)23(8)29(30)32)26(31)15-13-20(5)17-34-25(10)28(16-14-21(6)19(3)4)35-22(7)18-33-12-2/h12-15,18,34,36H,3,5,8-11,16-17,32H2,1-2,4,6-7H3/b15-13-,21-14+,22-18+,27-26-,33-12+,35-28+
InChIKeyMJGHFRQMCUZUCN-SWYZGQCYSA-N
XLogP6.98
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.68
LogP ≤ 56.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The IUPAC name of 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine (CID 143344314) is 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine.
What is the SMILES notation for 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The canonical SMILES for 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine is C=C(/C=C\C(F)=C(/CC)NC1=C(N)C(=C)C1=C)CNC(=C)/C(C/C=C(\C)C(=C)C)=N/C(C)=C/N=C/C.
What is the InChIKey of 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The InChIKey is MJGHFRQMCUZUCN-SWYZGQCYSA-N. The full InChI is InChI=1S/C30H40FN5/c1-11-27(36-30-24(9)23(8)29(30)32)26(31)15-13-20(5)17-34-25(10)28(16-14-21(6)19(3)4)35-22(7)18-33-12-2/h12-15,18,34,36H,3,5,8-11,16-17,32H2,1-2,4,6-7H3/b15-13-,21-14+,22-18+,27-26-,33-12+,35-28+.
What are the key properties of 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine?
2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine has a molecular weight of 489.68 g/mol, XLogP of 6.98, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine is sourced from PubChem (CID 143344314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).