1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine

C31H55N3 — CID 143356095

About 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine

1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine (PubChem CID 143356095) has the molecular formula C31H55N3 and a molecular weight of 469.80 g/mol. Its IUPAC name is 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine.

Molecular Properties

• Compound Name: 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine
• PubChem CID: 143356095
• Molecular Formula: C31H55N3
• Molecular Weight: 469.80 g/mol
• Exact Mass: 469.44
• IUPAC Name: 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine
• SMILES: C=C(C)CCC(NC(=C)NC(C(=C)N1C[C@H](CC)CC1C(=C)C)C1(C)CCCCC1)C(C)(C)C
• InChI: InChI=1S/C31H55N3/c1-12-26-20-27(23(4)5)34(21-26)24(6)29(31(11)18-14-13-15-19-31)33-25(7)32-28(30(8,9)10)17-16-22(2)3/h26-29,32-33H,2,4,6-7,12-21H2,1,3,5,8-11H3/t26-,27?,28?,29?/m1/s1
• InChIKey: HYZGFZJRZLLUJH-QMEHICNMSA-N
• XLogP: 7.94
• TPSA: 27.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.80
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'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine?

The IUPAC name of 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine (CID 143356095) is 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine.

What is the SMILES notation for 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine?

The canonical SMILES for 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine is C=C(C)CCC(NC(=C)NC(C(=C)N1C[C@H](CC)CC1C(=C)C)C1(C)CCCCC1)C(C)(C)C.

What is the InChIKey of 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine?

The InChIKey is HYZGFZJRZLLUJH-QMEHICNMSA-N. The full InChI is InChI=1S/C31H55N3/c1-12-26-20-27(23(4)5)34(21-26)24(6)29(31(11)18-14-13-15-19-31)33-25(7)32-28(30(8,9)10)17-16-22(2)3/h26-29,32-33H,2,4,6-7,12-21H2,1,3,5,8-11H3/t26-,27?,28?,29?/m1/s1.

What are the key properties of 1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine?

1-N'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine has a molecular weight of 469.80 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'-[2-[(4R)-4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-1-N-(2,2,6-trimethylhept-6-en-3-yl)ethene-1,1-diamine is sourced from PubChem (CID 143356095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).