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

C23H37NO2 — CID 118877258

IUPAC[(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESCCCCCCCOC1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1
InChIInChI=1S/C23H37NO2/c1-2-3-4-5-6-13-26-22-10-9-18-14-19(7-8-20(18)15-22)21-11-12-23(24,16-21)17-25/h7-8,14,21-22,25H,2-6,9-13,15-17,24H2,1H3/t21-,22?,23+/m0/s1
InChIKeyUJNQRTNJSSOWCV-OCESARCHSA-N
MW359.55 g/mol
LogP4.49
Rot. Bonds9

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

[(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (PubChem CID 118877258) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
PubChem CID118877258
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name[(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESCCCCCCCOC1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1
InChIInChI=1S/C23H37NO2/c1-2-3-4-5-6-13-26-22-10-9-18-14-19(7-8-20(18)15-22)21-11-12-23(24,16-21)17-25/h7-8,14,21-22,25H,2-6,9-13,15-17,24H2,1H3/t21-,22?,23+/m0/s1
InChIKeyUJNQRTNJSSOWCV-OCESARCHSA-N
XLogP4.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.49
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 [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (CID 118877258) is [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is CCCCCCCOC1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1.
What is the InChIKey of [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The InChIKey is UJNQRTNJSSOWCV-OCESARCHSA-N. The full InChI is InChI=1S/C23H37NO2/c1-2-3-4-5-6-13-26-22-10-9-18-14-19(7-8-20(18)15-22)21-11-12-23(24,16-21)17-25/h7-8,14,21-22,25H,2-6,9-13,15-17,24H2,1H3/t21-,22?,23+/m0/s1.
What are the key properties of [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
[(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol has a molecular weight of 359.55 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-amino-3-(6-heptoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 118877258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).