5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine

C43H82N6 — CID 143352733

About 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine

5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine (PubChem CID 143352733) has the molecular formula C43H82N6 and a molecular weight of 683.17 g/mol. Its IUPAC name is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

• Compound Name: 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine
• PubChem CID: 143352733
• Molecular Formula: C43H82N6
• Molecular Weight: 683.17 g/mol
• Exact Mass: 682.66
• IUPAC Name: 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine
• SMILES: C=C(N)C(=C)C(C)CC1CCC1.C=CC1[C@@H]2[C@H](CN1C(=C)C(NC(=C)NC(CNC(=C)NCC)C(C)(C)C)C(C)(C)C)C2(C)C.CC.CC
• InChI: InChI=1S/C28H51N5.C11H19N.2C2H6/c1-14-22-24-21(28(24,12)13)17-33(22)18(3)25(27(9,10)11)32-20(5)31-23(26(6,7)8)16-30-19(4)29-15-2;1-8(9(2)10(3)12)7-11-5-4-6-11;2*1-2/h14,21-25,29-32H,1,3-5,15-17H2,2,6-13H3;8,11H,2-7,12H2,1H3;2*1-2H3/t21-,22?,23?,24-,25?;;;/m0.../s1
• InChIKey: KDVQLBZVRKCOSG-SHKRMJTDSA-N
• XLogP: 9.69
• TPSA: 77.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.17
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

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;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine?

The IUPAC name of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine (CID 143352733) is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine.

What is the SMILES notation for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine?

The canonical SMILES for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine is C=C(N)C(=C)C(C)CC1CCC1.C=CC1[C@@H]2[C@H](CN1C(=C)C(NC(=C)NC(CNC(=C)NCC)C(C)(C)C)C(C)(C)C)C2(C)C.CC.CC.

What is the InChIKey of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine?

The InChIKey is KDVQLBZVRKCOSG-SHKRMJTDSA-N. The full InChI is InChI=1S/C28H51N5.C11H19N.2C2H6/c1-14-22-24-21(28(24,12)13)17-33(22)18(3)25(27(9,10)11)32-20(5)31-23(26(6,7)8)16-30-19(4)29-15-2;1-8(9(2)10(3)12)7-11-5-4-6-11;2*1-2/h14,21-25,29-32H,1,3-5,15-17H2,2,6-13H3;8,11H,2-7,12H2,1H3;2*1-2H3/t21-,22?,23?,24-,25?;;;/m0.../s1.

What are the key properties of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine?

5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine has a molecular weight of 683.17 g/mol, XLogP of 9.69, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;ethane;2-N-[1-[[2-[(1R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N-[1-(ethylamino)ethenyl]-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 143352733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).