(1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine

C27H35FN4 — CID 146245467

About (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine

(1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine (PubChem CID 146245467) has the molecular formula C27H35FN4 and a molecular weight of 434.60 g/mol. Its IUPAC name is (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine.

Molecular Properties

• Compound Name: (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine
• PubChem CID: 146245467
• Molecular Formula: C27H35FN4
• Molecular Weight: 434.60 g/mol
• Exact Mass: 434.28
• IUPAC Name: (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine
• SMILES: C=C(/C=C\N(C)C)/C(=C/N=C(\C)c1cccc(C(=C/C)/C=N/C)c1)C(=C)NC1CC(F)C1
• InChI: InChI=1S/C27H35FN4/c1-8-22(17-29-5)24-11-9-10-23(14-24)20(3)30-18-27(19(2)12-13-32(6)7)21(4)31-26-15-25(28)16-26/h8-14,17-18,25-26,31H,2,4,15-16H2,1,3,5-7H3/b13-12-,22-8+,27-18-,29-17+,30-20+
• InChIKey: PKFIXRZPJOBOCK-XHZCWZLSSA-N
• XLogP: 5.72
• TPSA: 39.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.60
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine?

The IUPAC name of (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine (CID 146245467) is (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine.

What is the SMILES notation for (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine?

The canonical SMILES for (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine is C=C(/C=C\N(C)C)/C(=C/N=C(\C)c1cccc(C(=C/C)/C=N/C)c1)C(=C)NC1CC(F)C1.

What is the InChIKey of (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine?

The InChIKey is PKFIXRZPJOBOCK-XHZCWZLSSA-N. The full InChI is InChI=1S/C27H35FN4/c1-8-22(17-29-5)24-11-9-10-23(14-24)20(3)30-18-27(19(2)12-13-32(6)7)21(4)31-26-15-25(28)16-26/h8-14,17-18,25-26,31H,2,4,15-16H2,1,3,5-7H3/b13-12-,22-8+,27-18-,29-17+,30-20+.

What are the key properties of (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine?

(1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine has a molecular weight of 434.60 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine is sourced from PubChem (CID 146245467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).