cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone

C16H21NO — CID 116549688

IUPACcyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(C1CCCCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C16H21NO/c18-16(12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)11-17-15/h4-5,8-9,12,15,17H,1-3,6-7,10-11H2
InChIKeyUJSLILNSQQNGBO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds2

About cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone

cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (PubChem CID 116549688) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
PubChem CID116549688
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namecyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(C1CCCCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C16H21NO/c18-16(12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)11-17-15/h4-5,8-9,12,15,17H,1-3,6-7,10-11H2
InChIKeyUJSLILNSQQNGBO-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62407046
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692970
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279812
cyclopentylmethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 104895732
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-yn-1-one
CID 116549661

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The IUPAC name of cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (CID 116549688) is cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.
What is the SMILES notation for cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The canonical SMILES for cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is O=C(C1CCCCC1)C1Cc2ccccc2CN1.
What is the InChIKey of cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The InChIKey is UJSLILNSQQNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)11-17-15/h4-5,8-9,12,15,17H,1-3,6-7,10-11H2.
What are the key properties of cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone has a molecular weight of 243.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is sourced from PubChem (CID 116549688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).