[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

C21H33NO2 — CID 118877560

IUPAC[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESCCCCCOC1CCc2cc([C@H]3CC[C@@](N)(CO)C3)ccc2C1
InChIInChI=1S/C21H33NO2/c1-2-3-4-11-24-20-8-7-16-12-17(5-6-18(16)13-20)19-9-10-21(22,14-19)15-23/h5-6,12,19-20,23H,2-4,7-11,13-15,22H2,1H3/t19-,20?,21-/m0/s1
InChIKeyFKBHWZKGFCGCGP-YSTUSHMSSA-N
MW331.50 g/mol
LogP3.71
Rot. Bonds7

About [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (PubChem CID 118877560) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
PubChem CID118877560
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESCCCCCOC1CCc2cc([C@H]3CC[C@@](N)(CO)C3)ccc2C1
InChIInChI=1S/C21H33NO2/c1-2-3-4-11-24-20-8-7-16-12-17(5-6-18(16)13-20)19-9-10-21(22,14-19)15-23/h5-6,12,19-20,23H,2-4,7-11,13-15,22H2,1H3/t19-,20?,21-/m0/s1
InChIKeyFKBHWZKGFCGCGP-YSTUSHMSSA-N
XLogP3.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The IUPAC name of [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (CID 118877560) is [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is CCCCCOC1CCc2cc([C@H]3CC[C@@](N)(CO)C3)ccc2C1.
What is the InChIKey of [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The InChIKey is FKBHWZKGFCGCGP-YSTUSHMSSA-N. The full InChI is InChI=1S/C21H33NO2/c1-2-3-4-11-24-20-8-7-16-12-17(5-6-18(16)13-20)19-9-10-21(22,14-19)15-23/h5-6,12,19-20,23H,2-4,7-11,13-15,22H2,1H3/t19-,20?,21-/m0/s1.
What are the key properties of [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol has a molecular weight of 331.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 118877560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).