5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline

C19H29NO — CID 115075120

IUPAC5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCC(C)(COc2cccc3c2CCCN3)CC1
InChIInChI=1S/C19H29NO/c1-18(2)9-11-19(3,12-10-18)14-21-17-8-4-7-16-15(17)6-5-13-20-16/h4,7-8,20H,5-6,9-14H2,1-3H3
InChIKeyCGZZQBFQSKYBAH-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.03
Rot. Bonds3

About 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline

5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075120) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075120
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCC(C)(COc2cccc3c2CCCN3)CC1
InChIInChI=1S/C19H29NO/c1-18(2)9-11-19(3,12-10-18)14-21-17-8-4-7-16-15(17)6-5-13-20-16/h4,7-8,20H,5-6,9-14H2,1-3H3
InChIKeyCGZZQBFQSKYBAH-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075120) is 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline is CC1(C)CCC(C)(COc2cccc3c2CCCN3)CC1.
What is the InChIKey of 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is CGZZQBFQSKYBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2)9-11-19(3,12-10-18)14-21-17-8-4-7-16-15(17)6-5-13-20-16/h4,7-8,20H,5-6,9-14H2,1-3H3.
What are the key properties of 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline?
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 287.45 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).