(5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C22H33N3O — CID 170026125

IUPAC(5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCn1cncc1CCC1CCc2cc([C@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C22H33N3O/c1-25-16-24-15-22(25)10-6-17-5-7-19-13-20(9-8-18(19)12-17)21(14-23)4-2-3-11-26/h8-9,13,15-17,21,26H,2-7,10-12,14,23H2,1H3/t17?,21-/m0/s1
InChIKeyWHNFJVJKPOFWFH-LFABVHOISA-N
MW355.53 g/mol
LogP3.36
Rot. Bonds9

About (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 170026125) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID170026125
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name(5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCn1cncc1CCC1CCc2cc([C@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C22H33N3O/c1-25-16-24-15-22(25)10-6-17-5-7-19-13-20(9-8-18(19)12-17)21(14-23)4-2-3-11-26/h8-9,13,15-17,21,26H,2-7,10-12,14,23H2,1H3/t17?,21-/m0/s1
InChIKeyWHNFJVJKPOFWFH-LFABVHOISA-N
XLogP3.36
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 170026125) is (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is Cn1cncc1CCC1CCc2cc([C@H](CN)CCCCO)ccc2C1.
What is the InChIKey of (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is WHNFJVJKPOFWFH-LFABVHOISA-N. The full InChI is InChI=1S/C22H33N3O/c1-25-16-24-15-22(25)10-6-17-5-7-19-13-20(9-8-18(19)12-17)21(14-23)4-2-3-11-26/h8-9,13,15-17,21,26H,2-7,10-12,14,23H2,1H3/t17?,21-/m0/s1.
What are the key properties of (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 355.53 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 170026125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).