N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine

C23H30F3N5 — CID 168937129

About N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine

N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine (PubChem CID 168937129) has the molecular formula C23H30F3N5 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine.

Molecular Properties

• Compound Name: N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine
• PubChem CID: 168937129
• Molecular Formula: C23H30F3N5
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.25
• IUPAC Name: N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine
• SMILES: C/C=C\N=C1/C=C(CNC2=CNCC=C2N2CCNCC2C(F)(F)F)C=C/C1=C\CC
• InChI: InChI=1S/C23H30F3N5/c1-3-5-18-7-6-17(13-19(18)29-9-4-2)14-30-20-15-27-10-8-21(20)31-12-11-28-16-22(31)23(24,25)26/h4-9,13,15,22,27-28,30H,3,10-12,14,16H2,1-2H3/b9-4-,18-5+,29-19+
• InChIKey: GXYKQAXTZXNVEZ-XBPSXJPSSA-N
• XLogP: 3.55
• TPSA: 51.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine?

The IUPAC name of N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine (CID 168937129) is N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine.

What is the SMILES notation for N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine?

The canonical SMILES for N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine is C/C=C\N=C1/C=C(CNC2=CNCC=C2N2CCNCC2C(F)(F)F)C=C/C1=C\CC.

What is the InChIKey of N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine?

The InChIKey is GXYKQAXTZXNVEZ-XBPSXJPSSA-N. The full InChI is InChI=1S/C23H30F3N5/c1-3-5-18-7-6-17(13-19(18)29-9-4-2)14-30-20-15-27-10-8-21(20)31-12-11-28-16-22(31)23(24,25)26/h4-9,13,15,22,27-28,30H,3,10-12,14,16H2,1-2H3/b9-4-,18-5+,29-19+.

What are the key properties of N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine?

N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine has a molecular weight of 433.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-[2-(trifluoromethyl)piperazin-1-yl]-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168937129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).