1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride

C15H26ClNO — CID 90677945

IUPAC1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride
SMILESCN(C)CCCC1C2=C(CC=CC2)CCC1O.Cl
InChIInChI=1S/C15H25NO.ClH/c1-16(2)11-5-8-14-13-7-4-3-6-12(13)9-10-15(14)17;/h3-4,14-15,17H,5-11H2,1-2H3;1H
InChIKeyCWZYEVHCQYGUBK-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.17
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride

1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride (PubChem CID 90677945) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride
PubChem CID90677945
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride
SMILESCN(C)CCCC1C2=C(CC=CC2)CCC1O.Cl
InChIInChI=1S/C15H25NO.ClH/c1-16(2)11-5-8-14-13-7-4-3-6-12(13)9-10-15(14)17;/h3-4,14-15,17H,5-11H2,1-2H3;1H
InChIKeyCWZYEVHCQYGUBK-UHFFFAOYSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
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 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride (CID 90677945) is 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride is CN(C)CCCC1C2=C(CC=CC2)CCC1O.Cl.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride?
The InChIKey is CWZYEVHCQYGUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-16(2)11-5-8-14-13-7-4-3-6-12(13)9-10-15(14)17;/h3-4,14-15,17H,5-11H2,1-2H3;1H.
What are the key properties of 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride?
1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 90677945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).