[(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol

C24H39NO — CID 170026097

About [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol

[(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol (PubChem CID 170026097) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol.

Molecular Properties

• Compound Name: [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol
• PubChem CID: 170026097
• Molecular Formula: C24H39NO
• Molecular Weight: 357.58 g/mol
• Exact Mass: 357.30
• IUPAC Name: [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol
• SMILES: CN(C)CCCCC[C@@H]1CCc2cc([C@H]3CC[C@](C)(CO)C3)ccc2C1
• InChI: InChI=1S/C24H39NO/c1-24(18-26)13-12-23(17-24)22-11-10-20-15-19(8-9-21(20)16-22)7-5-4-6-14-25(2)3/h10-11,16,19,23,26H,4-9,12-15,17-18H2,1-3H3/t19-,23+,24+/m1/s1
• InChIKey: QXEUJFRFZZSPIF-YGOYIFOWSA-N
• XLogP: 5.18
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	357.58
LogP ≤ 5	5.18
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 [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol?

The IUPAC name of [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol (CID 170026097) is [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol.

What is the SMILES notation for [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol?

The canonical SMILES for [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol is CN(C)CCCCC[C@@H]1CCc2cc([C@H]3CC[C@](C)(CO)C3)ccc2C1.

What is the InChIKey of [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol?

The InChIKey is QXEUJFRFZZSPIF-YGOYIFOWSA-N. The full InChI is InChI=1S/C24H39NO/c1-24(18-26)13-12-23(17-24)22-11-10-20-15-19(8-9-21(20)16-22)7-5-4-6-14-25(2)3/h10-11,16,19,23,26H,4-9,12-15,17-18H2,1-3H3/t19-,23+,24+/m1/s1.

What are the key properties of [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol?

[(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol has a molecular weight of 357.58 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 170026097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).