1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine

C34H51N3 — CID 130374641

IUPAC1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine
SMILESC=C(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)N1CCC(N(C)C(=C)C2=CC=CN(C)C2)C1
InChIInChI=1S/C34H51N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(2)37-28-26-34(30-37)36(5)32(3)33-25-23-27-35(4)29-33/h7-8,10-11,13-14,16-17,19-20,23,25,27,34H,2-3,6,9,12,15,18,21-22,24,26,28-30H2,1,4-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyTXVJFMBBUILXKN-NEUKSRIFSA-N
MW501.80 g/mol
LogP8.33
Rot. Bonds17

About 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine

1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine (PubChem CID 130374641) has the molecular formula C34H51N3 and a molecular weight of 501.80 g/mol. Its IUPAC name is 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine
PubChem CID130374641
Molecular FormulaC34H51N3
Molecular Weight501.80 g/mol
Exact Mass501.41
IUPAC Name1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine
SMILESC=C(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)N1CCC(N(C)C(=C)C2=CC=CN(C)C2)C1
InChIInChI=1S/C34H51N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(2)37-28-26-34(30-37)36(5)32(3)33-25-23-27-35(4)29-33/h7-8,10-11,13-14,16-17,19-20,23,25,27,34H,2-3,6,9,12,15,18,21-22,24,26,28-30H2,1,4-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyTXVJFMBBUILXKN-NEUKSRIFSA-N
XLogP8.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.80
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine (CID 130374641) is 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine is C=C(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)N1CCC(N(C)C(=C)C2=CC=CN(C)C2)C1.
What is the InChIKey of 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine?
The InChIKey is TXVJFMBBUILXKN-NEUKSRIFSA-N. The full InChI is InChI=1S/C34H51N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(2)37-28-26-34(30-37)36(5)32(3)33-25-23-27-35(4)29-33/h7-8,10-11,13-14,16-17,19-20,23,25,27,34H,2-3,6,9,12,15,18,21-22,24,26,28-30H2,1,4-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-.
What are the key properties of 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine?
1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine has a molecular weight of 501.80 g/mol, XLogP of 8.33, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)ethenyl]pyrrolidin-3-amine is sourced from PubChem (CID 130374641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).