1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane

C52H92N4 — CID 143356880

About 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane

1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane (PubChem CID 143356880) has the molecular formula C52H92N4 and a molecular weight of 773.34 g/mol. Its IUPAC name is 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane.

Molecular Properties

• Compound Name: 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane
• PubChem CID: 143356880
• Molecular Formula: C52H92N4
• Molecular Weight: 773.34 g/mol
• Exact Mass: 772.73
• IUPAC Name: 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane
• SMILES: C=C(C)CC.C=C(C[C@H]1C[C@H]1CC)NC(CC1CCC1)C(=C)C(=C)N.C=C(NC(C)C(C)C)NC(C(=C)C)C1CC2=C=C(C=CC=C2)C1.CC.CCC.CCC
• InChI: InChI=1S/C21H30N2.C18H30N2.C5H10.2C3H8.C2H6/c1-14(2)16(5)22-17(6)23-21(15(3)4)20-12-18-9-7-8-10-19(11-18)13-20;1-5-16-11-17(16)9-12(2)20-18(13(3)14(4)19)10-15-7-6-8-15;1-4-5(2)3;2*1-3-2;1-2/h7-10,14,16,20-23H,3,6,12-13H2,1-2,4-5H3;15-18,20H,2-11,19H2,1H3;2,4H2,1,3H3;2*3H2,1-2H3;1-2H3/t;16-,17+,18?;;;;/m.1..../s1
• InChIKey: KZEFJQQLOKNTOQ-HVWPJAJUSA-N
• XLogP: 14.56
• TPSA: 62.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.34
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

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 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane?

The IUPAC name of 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane (CID 143356880) is 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane.

What is the SMILES notation for 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane?

The canonical SMILES for 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane is C=C(C)CC.C=C(C[C@H]1C[C@H]1CC)NC(CC1CCC1)C(=C)C(=C)N.C=C(NC(C)C(C)C)NC(C(=C)C)C1CC2=C=C(C=CC=C2)C1.CC.CCC.CCC.

What is the InChIKey of 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane?

The InChIKey is KZEFJQQLOKNTOQ-HVWPJAJUSA-N. The full InChI is InChI=1S/C21H30N2.C18H30N2.C5H10.2C3H8.C2H6/c1-14(2)16(5)22-17(6)23-21(15(3)4)20-12-18-9-7-8-10-19(11-18)13-20;1-5-16-11-17(16)9-12(2)20-18(13(3)14(4)19)10-15-7-6-8-15;1-4-5(2)3;2*1-3-2;1-2/h7-10,14,16,20-23H,3,6,12-13H2,1-2,4-5H3;15-18,20H,2-11,19H2,1H3;2,4H2,1,3H3;2*3H2,1-2H3;1-2H3/t;16-,17+,18?;;;;/m.1..../s1.

What are the key properties of 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane?

1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane has a molecular weight of 773.34 g/mol, XLogP of 14.56, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine;5-cyclobutyl-4-N-[3-[(1R,2R)-2-ethylcyclopropyl]prop-1-en-2-yl]-3-methylidenepent-1-ene-2,4-diamine;ethane;2-methylbut-1-ene;propane is sourced from PubChem (CID 143356880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).