1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine

C41H72N6O — CID 143351241

About 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine

1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine (PubChem CID 143351241) has the molecular formula C41H72N6O and a molecular weight of 665.07 g/mol. Its IUPAC name is 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine.

Molecular Properties

• Compound Name: 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine
• PubChem CID: 143351241
• Molecular Formula: C41H72N6O
• Molecular Weight: 665.07 g/mol
• Exact Mass: 664.58
• IUPAC Name: 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine
• SMILES: C=C(C)NCC.C=C(N)C(=C)C(CC1CC1)NC(=C)C1[C@@H]2[C@H](CN1C(=C)C(NC(=O)NC(CC)C(C)(C)C)C1(C)CCCCC1)C2(C)C
• InChI: InChI=1S/C36H61N5O.C5H11N/c1-12-29(34(6,7)8)39-33(42)40-32(36(11)18-14-13-15-19-36)25(5)41-21-27-30(35(27,9)10)31(41)24(4)38-28(20-26-16-17-26)22(2)23(3)37;1-4-6-5(2)3/h26-32,38H,2-5,12-21,37H2,1,6-11H3,(H2,39,40,42);6H,2,4H2,1,3H3/t27-,28?,29?,30-,31?,32?;/m0./s1
• InChIKey: OQTSOQDCVGIWOV-GEORGRJQSA-N
• XLogP: 8.35
• TPSA: 94.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.07
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine?

The IUPAC name of 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine (CID 143351241) is 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine.

What is the SMILES notation for 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine?

The canonical SMILES for 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine is C=C(C)NCC.C=C(N)C(=C)C(CC1CC1)NC(=C)C1[C@@H]2[C@H](CN1C(=C)C(NC(=O)NC(CC)C(C)(C)C)C1(C)CCCCC1)C2(C)C.

What is the InChIKey of 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine?

The InChIKey is OQTSOQDCVGIWOV-GEORGRJQSA-N. The full InChI is InChI=1S/C36H61N5O.C5H11N/c1-12-29(34(6,7)8)39-33(42)40-32(36(11)18-14-13-15-19-36)25(5)41-21-27-30(35(27,9)10)31(41)24(4)38-28(20-26-16-17-26)22(2)23(3)37;1-4-6-5(2)3/h26-32,38H,2-5,12-21,37H2,1,6-11H3,(H2,39,40,42);6H,2,4H2,1,3H3/t27-,28?,29?,30-,31?,32?;/m0./s1.

What are the key properties of 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine?

1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine has a molecular weight of 665.07 g/mol, XLogP of 8.35, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1R,5S)-2-[1-[(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)prop-2-enyl]-3-(2,2-dimethylpentan-3-yl)urea;N-ethylprop-1-en-2-amine is sourced from PubChem (CID 143351241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).