1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine

C33H55N3 — CID 143105009

About 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine

1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine (PubChem CID 143105009) has the molecular formula C33H55N3 and a molecular weight of 493.82 g/mol. Its IUPAC name is 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine.

Molecular Properties

• Compound Name: 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine
• PubChem CID: 143105009
• Molecular Formula: C33H55N3
• Molecular Weight: 493.82 g/mol
• Exact Mass: 493.44
• IUPAC Name: 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine
• SMILES: C=C(C)CCC(NC(=C)NC(C(=C)N1C[C@H]2[C@@H](C1C(=C)C)C2(C)C)C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C33H55N3/c1-22(2)19-20-29(26-15-11-9-12-16-26)34-25(6)35-31(27-17-13-10-14-18-27)24(5)36-21-28-30(33(28,7)8)32(36)23(3)4/h26-32,34-35H,1,3,5-6,9-21H2,2,4,7-8H3/t28-,29?,30-,31?,32?/m0/s1
• InChIKey: IYGBYFCPWPFMBS-IRWIFYCESA-N
• XLogP: 7.94
• TPSA: 27.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.82
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine?

The IUPAC name of 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine (CID 143105009) is 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine.

What is the SMILES notation for 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine?

The canonical SMILES for 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine is C=C(C)CCC(NC(=C)NC(C(=C)N1C[C@H]2[C@@H](C1C(=C)C)C2(C)C)C1CCCCC1)C1CCCCC1.

What is the InChIKey of 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine?

The InChIKey is IYGBYFCPWPFMBS-IRWIFYCESA-N. The full InChI is InChI=1S/C33H55N3/c1-22(2)19-20-29(26-15-11-9-12-16-26)34-25(6)35-31(27-17-13-10-14-18-27)24(5)36-21-28-30(33(28,7)8)32(36)23(3)4/h26-32,34-35H,1,3,5-6,9-21H2,2,4,7-8H3/t28-,29?,30-,31?,32?/m0/s1.

What are the key properties of 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine?

1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine has a molecular weight of 493.82 g/mol, XLogP of 7.94, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[1-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-enyl]-1-N-(1-cyclohexyl-4-methylpent-4-enyl)ethene-1,1-diamine is sourced from PubChem (CID 143105009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).