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

C22H33NO — CID 118877304

IUPAC[(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESCC/C=C/CCC1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h3-4,9-10,14,17,21,24H,2,5-8,11-13,15-16,23H2,1H3/b4-3+/t17?,21-,22+/m0/s1
InChIKeyVRMKLXBPNWRVSL-MCKMVCLSSA-N
MW327.51 g/mol
LogP4.50
Rot. Bonds6

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

[(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 118877304) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
PubChem CID118877304
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name[(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESCC/C=C/CCC1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h3-4,9-10,14,17,21,24H,2,5-8,11-13,15-16,23H2,1H3/b4-3+/t17?,21-,22+/m0/s1
InChIKeyVRMKLXBPNWRVSL-MCKMVCLSSA-N
XLogP4.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 118877304) is [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is CC/C=C/CCC1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1.
What is the InChIKey of [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The InChIKey is VRMKLXBPNWRVSL-MCKMVCLSSA-N. The full InChI is InChI=1S/C22H33NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h3-4,9-10,14,17,21,24H,2,5-8,11-13,15-16,23H2,1H3/b4-3+/t17?,21-,22+/m0/s1.
What are the key properties of [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
[(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 327.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 118877304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).