1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine

C20H33N — CID 81033714

IUPAC1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(Cc2ccc(C)c(C)c2)C1
InChIInChI=1S/C20H33N/c1-5-6-17-9-10-19(14-21-4)20(12-17)13-18-8-7-15(2)16(3)11-18/h7-8,11,17,19-21H,5-6,9-10,12-14H2,1-4H3
InChIKeyMTKKMPNZGSGWBG-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.90
Rot. Bonds6

About 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine

1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine (PubChem CID 81033714) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
PubChem CID81033714
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(Cc2ccc(C)c(C)c2)C1
InChIInChI=1S/C20H33N/c1-5-6-17-9-10-19(14-21-4)20(12-17)13-18-8-7-15(2)16(3)11-18/h7-8,11,17,19-21H,5-6,9-10,12-14H2,1-4H3
InChIKeyMTKKMPNZGSGWBG-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine (CID 81033714) is 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine is CCCC1CCC(CNC)C(Cc2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine?
The InChIKey is MTKKMPNZGSGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-6-17-9-10-19(14-21-4)20(12-17)13-18-8-7-15(2)16(3)11-18/h7-8,11,17,19-21H,5-6,9-10,12-14H2,1-4H3.
What are the key properties of 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine?
1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine has a molecular weight of 287.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81033714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).