6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

C16H26ClNO — CID 22998596

IUPAC6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCN(C)CCCCC1CCc2cc(O)ccc2C1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-17(2)10-4-3-5-13-6-7-15-12-16(18)9-8-14(15)11-13;/h8-9,12-13,18H,3-7,10-11H2,1-2H3;1H
InChIKeyCVBIKMVCRVANLL-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.65
Rot. Bonds5

About 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (PubChem CID 22998596) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
PubChem CID22998596
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCN(C)CCCCC1CCc2cc(O)ccc2C1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-17(2)10-4-3-5-13-6-7-15-12-16(18)9-8-14(15)11-13;/h8-9,12-13,18H,3-7,10-11H2,1-2H3;1H
InChIKeyCVBIKMVCRVANLL-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The IUPAC name of 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (CID 22998596) is 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.
What is the SMILES notation for 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The canonical SMILES for 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is CN(C)CCCCC1CCc2cc(O)ccc2C1.Cl.
What is the InChIKey of 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The InChIKey is CVBIKMVCRVANLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-17(2)10-4-3-5-13-6-7-15-12-16(18)9-8-14(15)11-13;/h8-9,12-13,18H,3-7,10-11H2,1-2H3;1H.
What are the key properties of 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 22998596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).