methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium

C22H40N2 — CID 163155375

About methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium

methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium (PubChem CID 163155375) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium.

Molecular Properties

• Compound Name: methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium
• PubChem CID: 163155375
• Molecular Formula: C22H40N2
• Molecular Weight: 332.58 g/mol
• Exact Mass: 332.32
• IUPAC Name: methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium
• SMILES: [CH2-][NH2+]C1(C)CC2CC(C)C3CCC(C)([NH2+][CH2-])C4CCC(C2C34)C1C
• InChI: InChI=1S/C22H40N2/c1-13-11-15-12-22(4,24-6)14(2)17-7-8-18-20(19(15)17)16(13)9-10-21(18,3)23-5/h13-20H,5-12,23-24H2,1-4H3
• InChIKey: OXLVSXJXLPQQCS-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 33.22 Ų
• H-Bond Donors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.58
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium?

The IUPAC name of methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium (CID 163155375) is methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium.

What is the SMILES notation for methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium?

The canonical SMILES for methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium is [CH2-][NH2+]C1(C)CC2CC(C)C3CCC(C)([NH2+][CH2-])C4CCC(C2C34)C1C.

What is the InChIKey of methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium?

The InChIKey is OXLVSXJXLPQQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-13-11-15-12-22(4,24-6)14(2)17-7-8-18-20(19(15)17)16(13)9-10-21(18,3)23-5/h13-20H,5-12,23-24H2,1-4H3.

What are the key properties of methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium?

methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium has a molecular weight of 332.58 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium is sourced from PubChem (CID 163155375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).