N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine

C18H29N — CID 63507984

IUPACN-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine
SMILESCNCC1(Cc2c(C)cc(C)cc2C)CCCCC1
InChIInChI=1S/C18H29N/c1-14-10-15(2)17(16(3)11-14)12-18(13-19-4)8-6-5-7-9-18/h10-11,19H,5-9,12-13H2,1-4H3
InChIKeyMYVMUFQXVHYXDQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.32
Rot. Bonds4

About N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine

N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine (PubChem CID 63507984) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine
PubChem CID63507984
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine
SMILESCNCC1(Cc2c(C)cc(C)cc2C)CCCCC1
InChIInChI=1S/C18H29N/c1-14-10-15(2)17(16(3)11-14)12-18(13-19-4)8-6-5-7-9-18/h10-11,19H,5-9,12-13H2,1-4H3
InChIKeyMYVMUFQXVHYXDQ-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine (CID 63507984) is N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine is CNCC1(Cc2c(C)cc(C)cc2C)CCCCC1.
What is the InChIKey of N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine?
The InChIKey is MYVMUFQXVHYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-10-15(2)17(16(3)11-14)12-18(13-19-4)8-6-5-7-9-18/h10-11,19H,5-9,12-13H2,1-4H3.
What are the key properties of N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine?
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63507984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).