2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone

C34H51NO2 — CID 143761433

IUPAC2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone
SMILESCC(=O)c1ccc(C)cc1.CC1CCC(NCc2ccc3c(c2)CCC(C)C3)CC1.CCC1CCCO1
InChIInChI=1S/C19H29N.C9H10O.C6H12O/c1-14-4-9-19(10-5-14)20-13-16-6-8-17-11-15(2)3-7-18(17)12-16;1-7-3-5-9(6-4-7)8(2)10;1-2-6-4-3-5-7-6/h6,8,12,14-15,19-20H,3-5,7,9-11,13H2,1-2H3;3-6H,1-2H3;6H,2-5H2,1H3
InChIKeyGKGTXJJLJVMIGW-UHFFFAOYSA-N
MW505.79 g/mol
LogP8.25
Rot. Bonds5

About 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone

2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone (PubChem CID 143761433) has the molecular formula C34H51NO2 and a molecular weight of 505.79 g/mol. Its IUPAC name is 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone
PubChem CID143761433
Molecular FormulaC34H51NO2
Molecular Weight505.79 g/mol
Exact Mass505.39
IUPAC Name2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone
SMILESCC(=O)c1ccc(C)cc1.CC1CCC(NCc2ccc3c(c2)CCC(C)C3)CC1.CCC1CCCO1
InChIInChI=1S/C19H29N.C9H10O.C6H12O/c1-14-4-9-19(10-5-14)20-13-16-6-8-17-11-15(2)3-7-18(17)12-16;1-7-3-5-9(6-4-7)8(2)10;1-2-6-4-3-5-7-6/h6,8,12,14-15,19-20H,3-5,7,9-11,13H2,1-2H3;3-6H,1-2H3;6H,2-5H2,1H3
InChIKeyGKGTXJJLJVMIGW-UHFFFAOYSA-N
XLogP8.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.79
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone?
The IUPAC name of 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone (CID 143761433) is 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone is CC(=O)c1ccc(C)cc1.CC1CCC(NCc2ccc3c(c2)CCC(C)C3)CC1.CCC1CCCO1.
What is the InChIKey of 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone?
The InChIKey is GKGTXJJLJVMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N.C9H10O.C6H12O/c1-14-4-9-19(10-5-14)20-13-16-6-8-17-11-15(2)3-7-18(17)12-16;1-7-3-5-9(6-4-7)8(2)10;1-2-6-4-3-5-7-6/h6,8,12,14-15,19-20H,3-5,7,9-11,13H2,1-2H3;3-6H,1-2H3;6H,2-5H2,1H3.
What are the key properties of 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone?
2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone has a molecular weight of 505.79 g/mol, XLogP of 8.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxolane;4-methyl-N-[(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclohexan-1-amine;1-(4-methylphenyl)ethanone is sourced from PubChem (CID 143761433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).