N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine

C20H33N — CID 65424736

IUPACN-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCCCC1CCC(C(NC)c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C20H33N/c1-6-7-17-8-10-18(11-9-17)20(21-5)19-13-15(3)14(2)12-16(19)4/h12-13,17-18,20-21H,6-11H2,1-5H3
InChIKeyPTOPOJXZVBTOBK-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.48
Rot. Bonds5

About N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine

N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 65424736) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID65424736
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCCCC1CCC(C(NC)c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C20H33N/c1-6-7-17-8-10-18(11-9-17)20(21-5)19-13-15(3)14(2)12-16(19)4/h12-13,17-18,20-21H,6-11H2,1-5H3
InChIKeyPTOPOJXZVBTOBK-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65422994
4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine
CID 116952300
3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116952452
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 82793249
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine (CID 65424736) is N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine is CCCC1CCC(C(NC)c2cc(C)c(C)cc2C)CC1.
What is the InChIKey of N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is PTOPOJXZVBTOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-7-17-8-10-18(11-9-17)20(21-5)19-13-15(3)14(2)12-16(19)4/h12-13,17-18,20-21H,6-11H2,1-5H3.
What are the key properties of N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine?
N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 287.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 65424736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).