(4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol

C21H33NO — CID 155097407

IUPAC(4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol
SMILESCCCC/C=C/[C@@H]1CCc2cc([C@H](CN)CCCO)ccc2C1
InChIInChI=1S/C21H33NO/c1-2-3-4-5-7-17-9-10-19-15-20(12-11-18(19)14-17)21(16-22)8-6-13-23/h5,7,11-12,15,17,21,23H,2-4,6,8-10,13-14,16,22H2,1H3/b7-5+/t17-,21+/m1/s1
InChIKeyKUZYSRZFJYBNKF-PQGDUDRBSA-N
MW315.50 g/mol
LogP4.35
Rot. Bonds9

About (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol

(4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol (PubChem CID 155097407) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol.

Molecular Properties

Compound Name(4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol
PubChem CID155097407
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name(4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol
SMILESCCCC/C=C/[C@@H]1CCc2cc([C@H](CN)CCCO)ccc2C1
InChIInChI=1S/C21H33NO/c1-2-3-4-5-7-17-9-10-19-15-20(12-11-18(19)14-17)21(16-22)8-6-13-23/h5,7,11-12,15,17,21,23H,2-4,6,8-10,13-14,16,22H2,1H3/b7-5+/t17-,21+/m1/s1
InChIKeyKUZYSRZFJYBNKF-PQGDUDRBSA-N
XLogP4.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol?
The IUPAC name of (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol (CID 155097407) is (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol.
What is the SMILES notation for (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol?
The canonical SMILES for (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol is CCCC/C=C/[C@@H]1CCc2cc([C@H](CN)CCCO)ccc2C1.
What is the InChIKey of (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol?
The InChIKey is KUZYSRZFJYBNKF-PQGDUDRBSA-N. The full InChI is InChI=1S/C21H33NO/c1-2-3-4-5-7-17-9-10-19-15-20(12-11-18(19)14-17)21(16-22)8-6-13-23/h5,7,11-12,15,17,21,23H,2-4,6,8-10,13-14,16,22H2,1H3/b7-5+/t17-,21+/m1/s1.
What are the key properties of (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol?
(4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol has a molecular weight of 315.50 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-amino-4-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol is sourced from PubChem (CID 155097407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).