4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine

C62H79Cl2N7O4S — CID 171639229

About 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine

4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine (PubChem CID 171639229) has the molecular formula C62H79Cl2N7O4S and a molecular weight of 1089.33 g/mol. Its IUPAC name is 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine.

Molecular Properties

• Compound Name: 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine
• PubChem CID: 171639229
• Molecular Formula: C62H79Cl2N7O4S
• Molecular Weight: 1089.33 g/mol
• Exact Mass: 1087.53
• IUPAC Name: 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine
• SMILES: CCCCc1cn(CCOCCC)nn1.CCCOCCOCCNCc1ccc2c(c1)c1ccc(-c3cccs3)cc1n2CC.O=CN1CCN(CC(CCc2ccc3ccccc3c2)c2ccc(Cl)cc2Cl)CC1
• InChI: InChI=1S/C26H32N2O2S.C25H26Cl2N2O.C11H21N3O/c1-3-12-29-14-15-30-13-11-27-19-20-7-10-24-23(17-20)22-9-8-21(26-6-5-16-31-26)18-25(22)28(24)4-2;26-23-9-10-24(25(27)16-23)22(17-28-11-13-29(18-30)14-12-28)8-6-19-5-7-20-3-1-2-4-21(20)15-19;1-3-5-6-11-10-14(13-12-11)7-9-15-8-4-2/h5-10,16-18,27H,3-4,11-15,19H2,1-2H3;1-5,7,9-10,15-16,18,22H,6,8,11-14,17H2;10H,3-9H2,1-2H3
• InChIKey: WNTGLLBFCBWPMJ-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 98.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1089.33
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine?

The IUPAC name of 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine (CID 171639229) is 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine.

What is the SMILES notation for 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine?

The canonical SMILES for 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine is CCCCc1cn(CCOCCC)nn1.CCCOCCOCCNCc1ccc2c(c1)c1ccc(-c3cccs3)cc1n2CC.O=CN1CCN(CC(CCc2ccc3ccccc3c2)c2ccc(Cl)cc2Cl)CC1.

What is the InChIKey of 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine?

The InChIKey is WNTGLLBFCBWPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2S.C25H26Cl2N2O.C11H21N3O/c1-3-12-29-14-15-30-13-11-27-19-20-7-10-24-23(17-20)22-9-8-21(26-6-5-16-31-26)18-25(22)28(24)4-2;26-23-9-10-24(25(27)16-23)22(17-28-11-13-29(18-30)14-12-28)8-6-19-5-7-20-3-1-2-4-21(20)15-19;1-3-5-6-11-10-14(13-12-11)7-9-15-8-4-2/h5-10,16-18,27H,3-4,11-15,19H2,1-2H3;1-5,7,9-10,15-16,18,22H,6,8,11-14,17H2;10H,3-9H2,1-2H3.

What are the key properties of 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine?

4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine has a molecular weight of 1089.33 g/mol, XLogP of 13.76, 27 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine is sourced from PubChem (CID 171639229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).