2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine

C21H30FN3 — CID 176517365

IUPAC2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine
SMILESC=C=C(/C=N/C(C)=C(CC)\C(F)=C/C)C(=CN)/C=N/C1CCCCC1
InChIInChI=1S/C21H30FN3/c1-5-17(14-24-16(4)20(6-2)21(22)7-3)18(13-23)15-25-19-11-9-8-10-12-19/h7,13-15,19H,1,6,8-12,23H2,2-4H3/b18-13?,20-16-,21-7+,24-14+,25-15+
InChIKeyDZLZXVSPCMXMSK-CTBVHMDMSA-N
MW343.49 g/mol
LogP5.57
Rot. Bonds7

About 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine

2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine (PubChem CID 176517365) has the molecular formula C21H30FN3 and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine.

Molecular Properties

Compound Name2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine
PubChem CID176517365
Molecular FormulaC21H30FN3
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC Name2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine
SMILESC=C=C(/C=N/C(C)=C(CC)\C(F)=C/C)C(=CN)/C=N/C1CCCCC1
InChIInChI=1S/C21H30FN3/c1-5-17(14-24-16(4)20(6-2)21(22)7-3)18(13-23)15-25-19-11-9-8-10-12-19/h7,13-15,19H,1,6,8-12,23H2,2-4H3/b18-13?,20-16-,21-7+,24-14+,25-15+
InChIKeyDZLZXVSPCMXMSK-CTBVHMDMSA-N
XLogP5.57
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine 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-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine?
The IUPAC name of 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine (CID 176517365) is 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine.
What is the SMILES notation for 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine?
The canonical SMILES for 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine is C=C=C(/C=N/C(C)=C(CC)\C(F)=C/C)C(=CN)/C=N/C1CCCCC1.
What is the InChIKey of 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine?
The InChIKey is DZLZXVSPCMXMSK-CTBVHMDMSA-N. The full InChI is InChI=1S/C21H30FN3/c1-5-17(14-24-16(4)20(6-2)21(22)7-3)18(13-23)15-25-19-11-9-8-10-12-19/h7,13-15,19H,1,6,8-12,23H2,2-4H3/b18-13?,20-16-,21-7+,24-14+,25-15+.
What are the key properties of 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine?
2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine has a molecular weight of 343.49 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyliminomethyl)-3-[[(2Z,4E)-3-ethyl-4-fluorohexa-2,4-dien-2-yl]iminomethyl]penta-1,3,4-trien-1-amine is sourced from PubChem (CID 176517365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).