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

C22H33NO2 — CID 175059384

IUPAC[(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(CCOCC2CC2)C3)C1
InChIInChI=1S/C22H33NO2/c23-22(15-24)9-7-21(13-22)20-6-5-18-11-16(3-4-19(18)12-20)8-10-25-14-17-1-2-17/h5-6,12,16-17,21,24H,1-4,7-11,13-15,23H2/t16?,21-,22+/m0/s1
InChIKeyDIIXTAZLECETHO-APFNHRKESA-N
MW343.51 g/mol
LogP3.57
Rot. Bonds7

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

[(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 175059384) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
PubChem CID175059384
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name[(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(CCOCC2CC2)C3)C1
InChIInChI=1S/C22H33NO2/c23-22(15-24)9-7-21(13-22)20-6-5-18-11-16(3-4-19(18)12-20)8-10-25-14-17-1-2-17/h5-6,12,16-17,21,24H,1-4,7-11,13-15,23H2/t16?,21-,22+/m0/s1
InChIKeyDIIXTAZLECETHO-APFNHRKESA-N
XLogP3.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.57
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-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 175059384) is [(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is N[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(CCOCC2CC2)C3)C1.
What is the InChIKey of [(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The InChIKey is DIIXTAZLECETHO-APFNHRKESA-N. The full InChI is InChI=1S/C22H33NO2/c23-22(15-24)9-7-21(13-22)20-6-5-18-11-16(3-4-19(18)12-20)8-10-25-14-17-1-2-17/h5-6,12,16-17,21,24H,1-4,7-11,13-15,23H2/t16?,21-,22+/m0/s1.
What are the key properties of [(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
[(1R,3S)-1-amino-3-[6-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 343.51 g/mol, XLogP of 3.57, 7 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-[2-(cyclopropylmethoxy)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 175059384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).