ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine

C104H167N9 — CID 158310290

About ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine

ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 158310290) has the molecular formula C104H167N9 and a molecular weight of 1543.54 g/mol. Its IUPAC name is ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

• Compound Name: ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
• PubChem CID: 158310290
• Molecular Formula: C104H167N9
• Molecular Weight: 1543.54 g/mol
• Exact Mass: 1542.33
• IUPAC Name: ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
• SMILES: CC.CC.CC.CC.CC.Cc1c(C)c(C)c2c(c1C)CCC(NC1=NCCC1)C2.Cc1c(C)c(C)c2c(c1C)CCC(NC1=NCCC1)CC2.Cc1c(C)c(C)c2c(c1C)CCCC(NC1=NCCC1)C2.Cc1c(C)c(C)c2c(c1C)CCCC2N=C1CCCC1.Cc1c(C)c(C)c2c(c1C)CCCCC2NC1=NCCC1
• InChI: InChI=1S/3C19H28N2.C19H27N.C18H26N2.5C2H6/c1-12-13(2)15(4)18-11-16(21-19-9-6-10-20-19)7-5-8-17(18)14(12)3;1-12-13(2)15(4)18-10-8-16(7-9-17(18)14(12)3)21-19-6-5-11-20-19;1-12-13(2)15(4)19-16(14(12)3)8-5-6-9-17(19)21-18-10-7-11-20-18;1-12-13(2)15(4)19-17(14(12)3)10-7-11-18(19)20-16-8-5-6-9-16;1-11-12(2)14(4)17-10-15(7-8-16(17)13(11)3)20-18-6-5-9-19-18;5*1-2/h2*16H,5-11H2,1-4H3,(H,20,21);17H,5-11H2,1-4H3,(H,20,21);18H,5-11H2,1-4H3;15H,5-10H2,1-4H3,(H,19,20);5*1-2H3
• InChIKey: GNPGCGRJDAVCFS-UHFFFAOYSA-N
• XLogP: 26.37
• TPSA: 109.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1543.54
LogP ≤ 5	26.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?

The IUPAC name of ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 158310290) is ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.

What is the SMILES notation for ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?

The canonical SMILES for ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is CC.CC.CC.CC.CC.Cc1c(C)c(C)c2c(c1C)CCC(NC1=NCCC1)C2.Cc1c(C)c(C)c2c(c1C)CCC(NC1=NCCC1)CC2.Cc1c(C)c(C)c2c(c1C)CCCC(NC1=NCCC1)C2.Cc1c(C)c(C)c2c(c1C)CCCC2N=C1CCCC1.Cc1c(C)c(C)c2c(c1C)CCCCC2NC1=NCCC1.

What is the InChIKey of ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?

The InChIKey is GNPGCGRJDAVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H28N2.C19H27N.C18H26N2.5C2H6/c1-12-13(2)15(4)18-11-16(21-19-9-6-10-20-19)7-5-8-17(18)14(12)3;1-12-13(2)15(4)18-10-8-16(7-9-17(18)14(12)3)21-19-6-5-11-20-19;1-12-13(2)15(4)19-16(14(12)3)8-5-6-9-17(19)21-18-10-7-11-20-18;1-12-13(2)15(4)19-17(14(12)3)10-7-11-18(19)20-16-8-5-6-9-16;1-11-12(2)14(4)17-10-15(7-8-16(17)13(11)3)20-18-6-5-9-19-18;5*1-2/h2*16H,5-11H2,1-4H3,(H,20,21);17H,5-11H2,1-4H3,(H,20,21);18H,5-11H2,1-4H3;15H,5-10H2,1-4H3,(H,19,20);5*1-2H3.

What are the key properties of ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?

ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 1543.54 g/mol, XLogP of 26.37, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(1,2,3,4-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-3,4-dihydro-2H-pyrrol-5-amine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanimine;N-(5,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 158310290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).