(1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

C27H43NO — CID 638273

About (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

(1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol (PubChem CID 638273) has the molecular formula C27H43NO and a molecular weight of 397.65 g/mol. Its IUPAC name is (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol.

Molecular Properties

• Compound Name: (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol
• PubChem CID: 638273
• Molecular Formula: C27H43NO
• Molecular Weight: 397.65 g/mol
• Exact Mass: 397.33
• IUPAC Name: (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol
• SMILES: C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)N2C1
• InChI: InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20-,21+,22-,23+,24+,25+,26-,27-/m0/s1
• InChIKey: JVKYZPBMZPJNAJ-BWGYXBSXSA-N
• XLogP: 5.66
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.65
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol?

The IUPAC name of (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol (CID 638273) is (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol.

What is the SMILES notation for (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol?

The canonical SMILES for (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol is C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)N2C1.

What is the InChIKey of (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol?

The InChIKey is JVKYZPBMZPJNAJ-BWGYXBSXSA-N. The full InChI is InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20-,21+,22-,23+,24+,25+,26-,27-/m0/s1.

What are the key properties of (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol?

(1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol has a molecular weight of 397.65 g/mol, XLogP of 5.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,7S,10R,11R,14S,15S,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol is sourced from PubChem (CID 638273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).