3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine

C57H121N5O — CID 143361846

About 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine

3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine (PubChem CID 143361846) has the molecular formula C57H121N5O and a molecular weight of 892.63 g/mol. Its IUPAC name is 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine.

Molecular Properties

• Compound Name: 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine
• PubChem CID: 143361846
• Molecular Formula: C57H121N5O
• Molecular Weight: 892.63 g/mol
• Exact Mass: 891.96
• IUPAC Name: 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine
• SMILES: C=C.C=C.C=C(C)C(C)CCC.C=CC1[C@H]2C[C@H]2CN1C(=O)CC(NC(=C)N[C@H](CCCC(=C)CNCC1CC1)CC(C)C)C(C)(C)C.CC.CC.CC.CC.CC.CC.CNC
• InChI: InChI=1S/C31H54N4O.C8H16.C2H7N.6C2H6.2C2H4/c1-9-28-27-16-25(27)20-35(28)30(36)17-29(31(6,7)8)34-23(5)33-26(15-21(2)3)12-10-11-22(4)18-32-19-24-13-14-24;1-5-6-8(4)7(2)3;1-3-2;8*1-2/h9,21,24-29,32-34H,1,4-5,10-20H2,2-3,6-8H3;8H,2,5-6H2,1,3-4H3;3H,1-2H3;6*1-2H3;2*1-2H2/t25-,26+,27-,28?,29?;;;;;;;;;;/m0........../s1
• InChIKey: ULQPWOHKHJQNKY-QSSRMLEHSA-N
• XLogP: 16.21
• TPSA: 68.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.63
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine?

The IUPAC name of 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine (CID 143361846) is 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine.

What is the SMILES notation for 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine?

The canonical SMILES for 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine is C=C.C=C.C=C(C)C(C)CCC.C=CC1[C@H]2C[C@H]2CN1C(=O)CC(NC(=C)N[C@H](CCCC(=C)CNCC1CC1)CC(C)C)C(C)(C)C.CC.CC.CC.CC.CC.CC.CNC.

What is the InChIKey of 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine?

The InChIKey is ULQPWOHKHJQNKY-QSSRMLEHSA-N. The full InChI is InChI=1S/C31H54N4O.C8H16.C2H7N.6C2H6.2C2H4/c1-9-28-27-16-25(27)20-35(28)30(36)17-29(31(6,7)8)34-23(5)33-26(15-21(2)3)12-10-11-22(4)18-32-19-24-13-14-24;1-5-6-8(4)7(2)3;1-3-2;8*1-2/h9,21,24-29,32-34H,1,4-5,10-20H2,2-3,6-8H3;8H,2,5-6H2,1,3-4H3;3H,1-2H3;6*1-2H3;2*1-2H2/t25-,26+,27-,28?,29?;;;;;;;;;;/m0........../s1.

What are the key properties of 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine?

3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine has a molecular weight of 892.63 g/mol, XLogP of 16.21, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[[(4R)-8-[(cyclopropylmethylamino)methyl]-2-methylnon-8-en-4-yl]amino]ethenylamino]-1-[(1S,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-4,4-dimethylpentan-1-one;2,3-dimethylhex-1-ene;ethane;ethene;N-methylmethanamine is sourced from PubChem (CID 143361846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).