2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide

C64H82N6O5 — CID 159388470

About 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide

2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide (PubChem CID 159388470) has the molecular formula C64H82N6O5 and a molecular weight of 1015.40 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide
• PubChem CID: 159388470
• Molecular Formula: C64H82N6O5
• Molecular Weight: 1015.40 g/mol
• Exact Mass: 1014.63
• IUPAC Name: 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide
• SMILES: CN1CCCC1CCN.CN1CCCC1CCNCc1cccc2ccccc12.COc1cc(C(=O)N(CCC2CCCN2C)Cc2cccc3ccccc23)cc(OC)c1OC.O=Cc1cccc2ccccc12
• InChI: InChI=1S/C28H34N2O4.C18H24N2.C11H8O.C7H16N2/c1-29-15-8-12-23(29)14-16-30(19-21-11-7-10-20-9-5-6-13-24(20)21)28(31)22-17-25(32-2)27(34-4)26(18-22)33-3;1-20-13-5-9-17(20)11-12-19-14-16-8-4-7-15-6-2-3-10-18(15)16;12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-9-6-2-3-7(9)4-5-8/h5-7,9-11,13,17-18,23H,8,12,14-16,19H2,1-4H3;2-4,6-8,10,17,19H,5,9,11-14H2,1H3;1-8H;7H,2-6,8H2,1H3
• InChIKey: LLUNDZZBXZFWEU-UHFFFAOYSA-N
• XLogP: 11.49
• TPSA: 112.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.40
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide?

The IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide (CID 159388470) is 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide.

What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide?

The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide is CN1CCCC1CCN.CN1CCCC1CCNCc1cccc2ccccc12.COc1cc(C(=O)N(CCC2CCCN2C)Cc2cccc3ccccc23)cc(OC)c1OC.O=Cc1cccc2ccccc12.

What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide?

The InChIKey is LLUNDZZBXZFWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4.C18H24N2.C11H8O.C7H16N2/c1-29-15-8-12-23(29)14-16-30(19-21-11-7-10-20-9-5-6-13-24(20)21)28(31)22-17-25(32-2)27(34-4)26(18-22)33-3;1-20-13-5-9-17(20)11-12-19-14-16-8-4-7-15-6-2-3-10-18(15)16;12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-9-6-2-3-7(9)4-5-8/h5-7,9-11,13,17-18,23H,8,12,14-16,19H2,1-4H3;2-4,6-8,10,17,19H,5,9,11-14H2,1H3;1-8H;7H,2-6,8H2,1H3.

What are the key properties of 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide?

2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide has a molecular weight of 1015.40 g/mol, XLogP of 11.49, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylpyrrolidin-2-yl)ethanamine;2-(1-methylpyrrolidin-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine;naphthalene-1-carbaldehyde;3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 159388470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).