N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine

C37H51N — CID 155133155

About N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine

N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 155133155) has the molecular formula C37H51N and a molecular weight of 509.82 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

• Compound Name: N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
• PubChem CID: 155133155
• Molecular Formula: C37H51N
• Molecular Weight: 509.82 g/mol
• Exact Mass: 509.40
• IUPAC Name: N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
• SMILES: C=C(C)c1cccc(C[C@H](CC)N(C(=C)C2CCCCC2)c2ccc3c(c2C)CC(C(=C)C(C)C)CC3)c1
• InChI: InChI=1S/C37H51N/c1-9-35(23-30-14-13-17-33(22-30)26(4)5)38(29(8)31-15-11-10-12-16-31)37-21-20-32-18-19-34(27(6)25(2)3)24-36(32)28(37)7/h13-14,17,20-22,25,31,34-35H,4,6,8-12,15-16,18-19,23-24H2,1-3,5,7H3/t34?,35-/m0/s1
• InChIKey: QUHDJDXEXWNQHH-HTIIIDOHSA-N
• XLogP: 10.27
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.82
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?

The IUPAC name of N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 155133155) is N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine.

What is the SMILES notation for N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?

The canonical SMILES for N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine is C=C(C)c1cccc(C[C@H](CC)N(C(=C)C2CCCCC2)c2ccc3c(c2C)CC(C(=C)C(C)C)CC3)c1.

What is the InChIKey of N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?

The InChIKey is QUHDJDXEXWNQHH-HTIIIDOHSA-N. The full InChI is InChI=1S/C37H51N/c1-9-35(23-30-14-13-17-33(22-30)26(4)5)38(29(8)31-15-11-10-12-16-31)37-21-20-32-18-19-34(27(6)25(2)3)24-36(32)28(37)7/h13-14,17,20-22,25,31,34-35H,4,6,8-12,15-16,18-19,23-24H2,1-3,5,7H3/t34?,35-/m0/s1.

What are the key properties of N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?

N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 509.82 g/mol, XLogP of 10.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 155133155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).