2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine

C34H44N4 — CID 134534328

IUPAC2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine
SMILESC=C/C=C(\C=C\C1=CCNC=C1)C1C=CC2=C(C=CC(CN)C2NC(/C=C\C=C\C=C\C=N\C)CCC)C1
InChIInChI=1S/C34H44N4/c1-4-11-28(15-14-27-20-23-37-24-21-27)29-18-19-33-30(25-29)16-17-31(26-35)34(33)38-32(12-5-2)13-9-7-6-8-10-22-36-3/h4,6-11,13-23,29,31-32,34,37-38H,1,5,12,24-26,35H2,2-3H3/b7-6+,10-8+,13-9-,15-14+,28-11+,36-22+
InChIKeyFKNREFCCGLZGCE-SEGMIGRVSA-N
MW508.75 g/mol
LogP6.21
Rot. Bonds13

About 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine

2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine (PubChem CID 134534328) has the molecular formula C34H44N4 and a molecular weight of 508.75 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine
PubChem CID134534328
Molecular FormulaC34H44N4
Molecular Weight508.75 g/mol
Exact Mass508.36
IUPAC Name2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine
SMILESC=C/C=C(\C=C\C1=CCNC=C1)C1C=CC2=C(C=CC(CN)C2NC(/C=C\C=C\C=C\C=N\C)CCC)C1
InChIInChI=1S/C34H44N4/c1-4-11-28(15-14-27-20-23-37-24-21-27)29-18-19-33-30(25-29)16-17-31(26-35)34(33)38-32(12-5-2)13-9-7-6-8-10-22-36-3/h4,6-11,13-23,29,31-32,34,37-38H,1,5,12,24-26,35H2,2-3H3/b7-6+,10-8+,13-9-,15-14+,28-11+,36-22+
InChIKeyFKNREFCCGLZGCE-SEGMIGRVSA-N
XLogP6.21
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine (CID 134534328) is 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine is C=C/C=C(\C=C\C1=CCNC=C1)C1C=CC2=C(C=CC(CN)C2NC(/C=C\C=C\C=C\C=N\C)CCC)C1.
What is the InChIKey of 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine?
The InChIKey is FKNREFCCGLZGCE-SEGMIGRVSA-N. The full InChI is InChI=1S/C34H44N4/c1-4-11-28(15-14-27-20-23-37-24-21-27)29-18-19-33-30(25-29)16-17-31(26-35)34(33)38-32(12-5-2)13-9-7-6-8-10-22-36-3/h4,6-11,13-23,29,31-32,34,37-38H,1,5,12,24-26,35H2,2-3H3/b7-6+,10-8+,13-9-,15-14+,28-11+,36-22+.
What are the key properties of 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine?
2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine has a molecular weight of 508.75 g/mol, XLogP of 6.21, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 134534328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).