[(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol

C24H37NO2 — CID 118877275

IUPAC[(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol
SMILESCCCCC1CCCC2(CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)O1
InChIInChI=1S/C24H37NO2/c1-2-3-5-22-6-4-11-24(27-22)13-10-19-14-18(7-8-20(19)16-24)21-9-12-23(25,15-21)17-26/h7-8,14,21-22,26H,2-6,9-13,15-17,25H2,1H3/t21-,22?,23+,24?/m0/s1
InChIKeyKBVVBIMQKZWLAU-RFQWIFLJSA-N
MW371.57 g/mol
LogP4.63
Rot. Bonds5

About [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol

[(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol (PubChem CID 118877275) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol
PubChem CID118877275
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name[(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol
SMILESCCCCC1CCCC2(CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)O1
InChIInChI=1S/C24H37NO2/c1-2-3-5-22-6-4-11-24(27-22)13-10-19-14-18(7-8-20(19)16-24)21-9-12-23(25,15-21)17-26/h7-8,14,21-22,26H,2-6,9-13,15-17,25H2,1H3/t21-,22?,23+,24?/m0/s1
InChIKeyKBVVBIMQKZWLAU-RFQWIFLJSA-N
XLogP4.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol (CID 118877275) is [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol is CCCCC1CCCC2(CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)O1.
What is the InChIKey of [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol?
The InChIKey is KBVVBIMQKZWLAU-RFQWIFLJSA-N. The full InChI is InChI=1S/C24H37NO2/c1-2-3-5-22-6-4-11-24(27-22)13-10-19-14-18(7-8-20(19)16-24)21-9-12-23(25,15-21)17-26/h7-8,14,21-22,26H,2-6,9-13,15-17,25H2,1H3/t21-,22?,23+,24?/m0/s1.
What are the key properties of [(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol?
[(1R,3S)-1-amino-3-(6'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol has a molecular weight of 371.57 g/mol, XLogP of 4.63, 5 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'-butylspiro[7,8-dihydro-5H-naphthalene-6,2'-oxane]-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 118877275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).