6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline

C18H27NO — CID 115075304

IUPAC6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCC(COc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C18H27NO/c1-18(2)9-7-14(8-10-18)13-20-16-5-6-17-15(12-16)4-3-11-19-17/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3
InChIKeyRCBRPOXDPBMEFU-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.64
Rot. Bonds3

About 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline

6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075304) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075304
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCC(COc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C18H27NO/c1-18(2)9-7-14(8-10-18)13-20-16-5-6-17-15(12-16)4-3-11-19-17/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3
InChIKeyRCBRPOXDPBMEFU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075338
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074576
5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075339
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074550
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
4-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)thiane 1,1-dioxide
CID 115075515
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075288
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074635
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075355

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075304) is 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline is CC1(C)CCC(COc2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is RCBRPOXDPBMEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)9-7-14(8-10-18)13-20-16-5-6-17-15(12-16)4-3-11-19-17/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3.
What are the key properties of 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
6-[(4,4-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 6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).