5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane

C43H76N2 — CID 142109921

About 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane

5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane (PubChem CID 142109921) has the molecular formula C43H76N2 and a molecular weight of 621.10 g/mol. Its IUPAC name is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane.

Molecular Properties

• Compound Name: 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane
• PubChem CID: 142109921
• Molecular Formula: C43H76N2
• Molecular Weight: 621.10 g/mol
• Exact Mass: 620.60
• IUPAC Name: 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane
• SMILES: C=C(CC(C)(C)C)NC(C(=C)CC(C(=C)C)C1C(CC)C1(C)C)C1CCC2(CC1)CC2.C=C(N)C(=C)C(C)CC1CCC1.CC
• InChI: InChI=1S/C30H51N.C11H19N.C2H6/c1-11-25-26(29(25,9)10)24(20(2)3)18-21(4)27(31-22(5)19-28(6,7)8)23-12-14-30(15-13-23)16-17-30;1-8(9(2)10(3)12)7-11-5-4-6-11;1-2/h23-27,31H,2,4-5,11-19H2,1,3,6-10H3;8,11H,2-7,12H2,1H3;1-2H3
• InChIKey: CPQHZEZMWXDZBO-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.10
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane?

The IUPAC name of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane (CID 142109921) is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane.

What is the SMILES notation for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane?

The canonical SMILES for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane is C=C(CC(C)(C)C)NC(C(=C)CC(C(=C)C)C1C(CC)C1(C)C)C1CCC2(CC1)CC2.C=C(N)C(=C)C(C)CC1CCC1.CC.

What is the InChIKey of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane?

The InChIKey is CPQHZEZMWXDZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N.C11H19N.C2H6/c1-11-25-26(29(25,9)10)24(20(2)3)18-21(4)27(31-22(5)19-28(6,7)8)23-12-14-30(15-13-23)16-17-30;1-8(9(2)10(3)12)7-11-5-4-6-11;1-2/h23-27,31H,2,4-5,11-19H2,1,3,6-10H3;8,11H,2-7,12H2,1H3;1-2H3.

What are the key properties of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane?

5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane has a molecular weight of 621.10 g/mol, XLogP of 12.55, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;N-(4,4-dimethylpent-1-en-2-yl)-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-1-spiro[2.5]octan-6-ylhex-5-en-1-amine;ethane is sourced from PubChem (CID 142109921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).