2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine

C18H29N — CID 81022290

IUPAC2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H29N/c1-13(2)11-19-12-17-9-10-18(17)16-7-5-15(6-8-16)14(3)4/h5-8,13-14,17-19H,9-12H2,1-4H3
InChIKeyXLXBUYUAYSWEDJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.55
Rot. Bonds6

About 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine (PubChem CID 81022290) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
PubChem CID81022290
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H29N/c1-13(2)11-19-12-17-9-10-18(17)16-7-5-15(6-8-16)14(3)4/h5-8,13-14,17-19H,9-12H2,1-4H3
InChIKeyXLXBUYUAYSWEDJ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine (CID 81022290) is 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine is CC(C)CNCC1CCC1c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is XLXBUYUAYSWEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)11-19-12-17-9-10-18(17)16-7-5-15(6-8-16)14(3)4/h5-8,13-14,17-19H,9-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81022290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).