1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

C20H33N — CID 43480190

IUPAC1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H33N/c1-5-6-7-17-9-12-18(13-10-17)20(21-4)19-11-8-15(2)16(3)14-19/h8,11,14,17-18,20-21H,5-7,9-10,12-13H2,1-4H3
InChIKeyFGIISEWTRGWYNF-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.56
Rot. Bonds6

About 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 43480190) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID43480190
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H33N/c1-5-6-7-17-9-12-18(13-10-17)20(21-4)19-11-8-15(2)16(3)14-19/h8,11,14,17-18,20-21H,5-7,9-10,12-13H2,1-4H3
InChIKeyFGIISEWTRGWYNF-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
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
[(4-butylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105285296
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 65424736
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026025
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (CID 43480190) is 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is CCCCC1CCC(C(NC)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is FGIISEWTRGWYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-6-7-17-9-12-18(13-10-17)20(21-4)19-11-8-15(2)16(3)14-19/h8,11,14,17-18,20-21H,5-7,9-10,12-13H2,1-4H3.
What are the key properties of 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43480190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).