3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine

C23H33NO — CID 54848926

IUPAC3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
SMILESCC(C)CCOc1ccc2ccccc2c1CNC1CCCC(C)C1
InChIInChI=1S/C23H33NO/c1-17(2)13-14-25-23-12-11-19-8-4-5-10-21(19)22(23)16-24-20-9-6-7-18(3)15-20/h4-5,8,10-12,17-18,20,24H,6-7,9,13-16H2,1-3H3
InChIKeyFOUXCBZJXIMALB-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.93
Rot. Bonds7

About 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine

3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine (PubChem CID 54848926) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
PubChem CID54848926
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
SMILESCC(C)CCOc1ccc2ccccc2c1CNC1CCCC(C)C1
InChIInChI=1S/C23H33NO/c1-17(2)13-14-25-23-12-11-19-8-4-5-10-21(19)22(23)16-24-20-9-6-7-18(3)15-20/h4-5,8,10-12,17-18,20,24H,6-7,9,13-16H2,1-3H3
InChIKeyFOUXCBZJXIMALB-UHFFFAOYSA-N
XLogP5.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine (CID 54848926) is 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine is CC(C)CCOc1ccc2ccccc2c1CNC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is FOUXCBZJXIMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-17(2)13-14-25-23-12-11-19-8-4-5-10-21(19)22(23)16-24-20-9-6-7-18(3)15-20/h4-5,8,10-12,17-18,20,24H,6-7,9,13-16H2,1-3H3.
What are the key properties of 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine?
3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 339.52 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 54848926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).