N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten

C35H51N4SW- — CID 153380242

About N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten

N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten (PubChem CID 153380242) has the molecular formula C35H51N4SW- and a molecular weight of 743.73 g/mol. Its IUPAC name is N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten.

Molecular Properties

• Compound Name: N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten
• PubChem CID: 153380242
• Molecular Formula: C35H51N4SW-
• Molecular Weight: 743.73 g/mol
• Exact Mass: 743.33
• IUPAC Name: N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten
• SMILES: C=CC[C-](CCC)CCC(=C)NC(C(=C)N1CCCC1C(=C)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C.[W]
• InChI: InChI=1S/C35H51N4S.W/c1-10-13-29(14-11-2)17-16-25(3)38-34(35(7,8)9)28(6)39-22-12-15-32(39)26(4)36-23-30-18-20-31(21-19-30)33-27(5)37-24-40-33;/h10,18-21,24,32,34,36,38H,1,3-4,6,11-17,22-23H2,2,5,7-9H3;/q-1
• InChIKey: WJJJPZNAJXELHN-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 40.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.73
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten?

The IUPAC name of N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten (CID 153380242) is N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten.

What is the SMILES notation for N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten?

The canonical SMILES for N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten is C=CC[C-](CCC)CCC(=C)NC(C(=C)N1CCCC1C(=C)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C.[W].

What is the InChIKey of N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten?

The InChIKey is WJJJPZNAJXELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N4S.W/c1-10-13-29(14-11-2)17-16-25(3)38-34(35(7,8)9)28(6)39-22-12-15-32(39)26(4)36-23-30-18-20-31(21-19-30)33-27(5)37-24-40-33;/h10,18-21,24,32,34,36,38H,1,3-4,6,11-17,22-23H2,2,5,7-9H3;/q-1;.

What are the key properties of N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten?

N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten has a molecular weight of 743.73 g/mol, XLogP of 8.95, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,4-dimethyl-2-[2-[1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]pent-1-en-3-yl]-5-propylocta-1,7-dien-2-amine;tungsten is sourced from PubChem (CID 153380242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).