(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

C17H23NO — CID 116612513

IUPAC(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESCC1CCCC(C(=O)c2cccc3c2CCNC3)C1
InChIInChI=1S/C17H23NO/c1-12-4-2-5-13(10-12)17(19)16-7-3-6-14-11-18-9-8-15(14)16/h3,6-7,12-13,18H,2,4-5,8-11H2,1H3
InChIKeyKWMITXUTOFMMGI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds2

About (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (PubChem CID 116612513) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
PubChem CID116612513
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESCC1CCCC(C(=O)c2cccc3c2CCNC3)C1
InChIInChI=1S/C17H23NO/c1-12-4-2-5-13(10-12)17(19)16-7-3-6-14-11-18-9-8-15(14)16/h3,6-7,12-13,18H,2,4-5,8-11H2,1H3
InChIKeyKWMITXUTOFMMGI-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
(4-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612615
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104851
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The IUPAC name of (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (CID 116612513) is (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.
What is the SMILES notation for (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The canonical SMILES for (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is CC1CCCC(C(=O)c2cccc3c2CCNC3)C1.
What is the InChIKey of (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The InChIKey is KWMITXUTOFMMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-4-2-5-13(10-12)17(19)16-7-3-6-14-11-18-9-8-15(14)16/h3,6-7,12-13,18H,2,4-5,8-11H2,1H3.
What are the key properties of (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone has a molecular weight of 257.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is sourced from PubChem (CID 116612513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).