7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline

C18H27NO — CID 115075481

IUPAC7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCC(C)(COc2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C18H27NO/c1-14-7-9-18(2,10-8-14)13-20-16-6-5-15-4-3-11-19-17(15)12-16/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3
InChIKeyUSVQFYVYESCXDR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.64
Rot. Bonds3

About 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline

7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075481) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075481
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCC(C)(COc2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C18H27NO/c1-14-7-9-18(2,10-8-14)13-20-16-6-5-15-4-3-11-19-17(15)12-16/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3
InChIKeyUSVQFYVYESCXDR-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
6-[(4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074794
7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076573
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075542
6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074777
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075339
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075527
7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 115075504

Frequently Asked Questions

What is the IUPAC name of 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075481) is 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline is CC1CCC(C)(COc2ccc3c(c2)NCCC3)CC1.
What is the InChIKey of 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is USVQFYVYESCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-7-9-18(2,10-8-14)13-20-16-6-5-15-4-3-11-19-17(15)12-16/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3.
What are the key properties of 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).