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

C18H26N2O — CID 65281483

IUPAC(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2CNCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-18(2)8-5-10-20(11-9-18)17(21)16-13-19-12-14-6-3-4-7-15(14)16/h3-4,6-7,16,19H,5,8-13H2,1-2H3
InChIKeyUBBOEZMDFKXWFL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds1

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

(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (PubChem CID 65281483) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
PubChem CID65281483
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2CNCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-18(2)8-5-10-20(11-9-18)17(21)16-13-19-12-14-6-3-4-7-15(14)16/h3-4,6-7,16,19H,5,8-13H2,1-2H3
InChIKeyUBBOEZMDFKXWFL-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262533
(3S)-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 81121194
4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65282926
(1-oxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262107
(1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260608
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 107217468
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 114678463
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260455
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (CID 65281483) is (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is CC1(C)CCCN(C(=O)C2CNCc3ccccc32)CC1.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The InChIKey is UBBOEZMDFKXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2)8-5-10-20(11-9-18)17(21)16-13-19-12-14-6-3-4-7-15(14)16/h3-4,6-7,16,19H,5,8-13H2,1-2H3.
What are the key properties of (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is sourced from PubChem (CID 65281483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).