6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane

C34H41N3 — CID 143948990

About 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane

6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane (PubChem CID 143948990) has the molecular formula C34H41N3 and a molecular weight of 491.72 g/mol. Its IUPAC name is 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane.

Molecular Properties

• Compound Name: 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane
• PubChem CID: 143948990
• Molecular Formula: C34H41N3
• Molecular Weight: 491.72 g/mol
• Exact Mass: 491.33
• IUPAC Name: 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane
• SMILES: CC.CCCCCCCCNc1cc2c3ccc4c(ccc5c4ccc4c5ccn4C)c3ccc2n1C
• InChI: InChI=1S/C32H35N3.C2H6/c1-4-5-6-7-8-9-19-33-32-21-29-27-13-11-22-23(25(27)15-17-31(29)35(32)3)10-12-26-24(22)14-16-30-28(26)18-20-34(30)2;1-2/h10-18,20-21,33H,4-9,19H2,1-3H3;1-2H3
• InChIKey: CZBBFYSJQTYEBU-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 21.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.72
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane?

The IUPAC name of 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane (CID 143948990) is 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane.

What is the SMILES notation for 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane?

The canonical SMILES for 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane is CC.CCCCCCCCNc1cc2c3ccc4c(ccc5c4ccc4c5ccn4C)c3ccc2n1C.

What is the InChIKey of 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane?

The InChIKey is CZBBFYSJQTYEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3.C2H6/c1-4-5-6-7-8-9-19-33-32-21-29-27-13-11-22-23(25(27)15-17-31(29)35(32)3)10-12-26-24(22)14-16-30-28(26)18-20-34(30)2;1-2/h10-18,20-21,33H,4-9,19H2,1-3H3;1-2H3.

What are the key properties of 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane?

6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane has a molecular weight of 491.72 g/mol, XLogP of 9.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,18-dimethyl-N-octyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-amine;ethane is sourced from PubChem (CID 143948990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).