8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline

C17H25N — CID 64774667

IUPAC8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCC(Cc2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H25N/c1-13-7-9-14(10-8-13)12-16-5-2-4-15-6-3-11-18-17(15)16/h2,4-5,13-14,18H,3,6-12H2,1H3
InChIKeyFBPHSTBAFWOGCA-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.41
Rot. Bonds2

About 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline

8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 64774667) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID64774667
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCC(Cc2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H25N/c1-13-7-9-14(10-8-13)12-16-5-2-4-15-6-3-11-18-17(15)16/h2,4-5,13-14,18H,3,6-12H2,1H3
InChIKeyFBPHSTBAFWOGCA-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Acridan
CID 7106
1,2,3,4-Tetrahydroquinoline
CID 69460
Julolidine
CID 68069
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1,4-Bis(2,6-dimethylphenyl)piperazine
CID 1247098
2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline
CID 101035
Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
CID 107292
Monometacrine
CID 145765
8-ethyl-4-methylspiro[3,4-dihydro-1H-quinoline-2,1'-cyclopentane];hydrochloride
CID 16188405
4',8'-Dimethyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride
CID 16681803

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 64774667) is 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline is CC1CCC(Cc2cccc3c2NCCC3)CC1.
What is the InChIKey of 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is FBPHSTBAFWOGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13-7-9-14(10-8-13)12-16-5-2-4-15-6-3-11-18-17(15)16/h2,4-5,13-14,18H,3,6-12H2,1H3.
What are the key properties of 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline?
8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 64774667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).