N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine

C23H29N — CID 176731750

About N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine

N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine (PubChem CID 176731750) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

• Compound Name: N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
• PubChem CID: 176731750
• Molecular Formula: C23H29N
• Molecular Weight: 319.49 g/mol
• Exact Mass: 319.23
• IUPAC Name: N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
• SMILES: Cc1ccc(C=CCN(C)Cc2ccc3c(c2)CCCCC3)cc1
• InChI: InChI=1S/C23H29N/c1-19-10-12-20(13-11-19)7-6-16-24(2)18-21-14-15-22-8-4-3-5-9-23(22)17-21/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3
• InChIKey: UQKPNLUDIVOCCG-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	319.49
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine?

The IUPAC name of N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine (CID 176731750) is N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine.

What is the SMILES notation for N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine?

The canonical SMILES for N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine is Cc1ccc(C=CCN(C)Cc2ccc3c(c2)CCCCC3)cc1.

What is the InChIKey of N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine?

The InChIKey is UQKPNLUDIVOCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-19-10-12-20(13-11-19)7-6-16-24(2)18-21-14-15-22-8-4-3-5-9-23(22)17-21/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3.

What are the key properties of N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine?

N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 319.49 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 176731750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).