2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride

C15H26ClNO — CID 2874616

IUPAC2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
SMILESCN(C)CC(=O)C12CC3CCC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H25NO.ClH/c1-16(2)10-14(17)15-7-11-3-4-12(8-15)6-13(5-11)9-15;/h11-13H,3-10H2,1-2H3;1H
InChIKeyNKQHHHNNLBFRAP-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.15
Rot. Bonds3

About 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride

2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride (PubChem CID 2874616) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
PubChem CID2874616
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
SMILESCN(C)CC(=O)C12CC3CCC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H25NO.ClH/c1-16(2)10-14(17)15-7-11-3-4-12(8-15)6-13(5-11)9-15;/h11-13H,3-10H2,1-2H3;1H
InChIKeyNKQHHHNNLBFRAP-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The IUPAC name of 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride (CID 2874616) is 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride is CN(C)CC(=O)C12CC3CCC(CC(C3)C1)C2.Cl.
What is the InChIKey of 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The InChIKey is NKQHHHNNLBFRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-16(2)10-14(17)15-7-11-3-4-12(8-15)6-13(5-11)9-15;/h11-13H,3-10H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride is sourced from PubChem (CID 2874616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).