N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine

C24H35NO — CID 146331816

About N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine

N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine (PubChem CID 146331816) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine
• PubChem CID: 146331816
• Molecular Formula: C24H35NO
• Molecular Weight: 353.55 g/mol
• Exact Mass: 353.27
• IUPAC Name: N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine
• SMILES: CCCNCc1ccc2cc(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2c1
• InChI: InChI=1S/C24H35NO/c1-5-12-25-16-19-7-8-21-15-22(10-9-20(21)14-19)26-24-13-18(4)6-11-23(24)17(2)3/h7-10,14-15,17-18,23-25H,5-6,11-13,16H2,1-4H3/t18-,23+,24-/m1/s1
• InChIKey: MOEGDPDSNNWCEG-PUZWTLIVSA-N
• XLogP: 6.18
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.55
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine?

The IUPAC name of N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine (CID 146331816) is N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine.

What is the SMILES notation for N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine?

The canonical SMILES for N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine is CCCNCc1ccc2cc(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2c1.

What is the InChIKey of N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine?

The InChIKey is MOEGDPDSNNWCEG-PUZWTLIVSA-N. The full InChI is InChI=1S/C24H35NO/c1-5-12-25-16-19-7-8-21-15-22(10-9-20(21)14-19)26-24-13-18(4)6-11-23(24)17(2)3/h7-10,14-15,17-18,23-25H,5-6,11-13,16H2,1-4H3/t18-,23+,24-/m1/s1.

What are the key properties of N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine?

N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine has a molecular weight of 353.55 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 146331816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).