2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine

C18H29N — CID 103162796

IUPAC2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
SMILESCNC(CC1CCC1)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H29N/c1-11-12(2)14(4)18(15(5)13(11)3)17(19-6)10-16-8-7-9-16/h16-17,19H,7-10H2,1-6H3
InChIKeyILEROJYIPVXTBQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.68
Rot. Bonds4

About 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine

2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine (PubChem CID 103162796) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
PubChem CID103162796
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
SMILESCNC(CC1CCC1)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H29N/c1-11-12(2)14(4)18(15(5)13(11)3)17(19-6)10-16-8-7-9-16/h16-17,19H,7-10H2,1-6H3
InChIKeyILEROJYIPVXTBQ-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine (CID 103162796) is 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine is CNC(CC1CCC1)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The InChIKey is ILEROJYIPVXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-11-12(2)14(4)18(15(5)13(11)3)17(19-6)10-16-8-7-9-16/h16-17,19H,7-10H2,1-6H3.
What are the key properties of 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine is sourced from PubChem (CID 103162796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).