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

C17H27N — CID 66432386

IUPAC2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccccc1C1(CNC(C)(C)C)CCC1C
InChIInChI=1S/C17H27N/c1-13-8-6-7-9-15(13)17(11-10-14(17)2)12-18-16(3,4)5/h6-9,14,18H,10-12H2,1-5H3
InChIKeyLTFAWOJRHYIUQQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.05
Rot. Bonds3

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

2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 66432386) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID66432386
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccccc1C1(CNC(C)(C)C)CCC1C
InChIInChI=1S/C17H27N/c1-13-8-6-7-9-15(13)17(11-10-14(17)2)12-18-16(3,4)5/h6-9,14,18H,10-12H2,1-5H3
InChIKeyLTFAWOJRHYIUQQ-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.05
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-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine (CID 66432386) is 2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine is Cc1ccccc1C1(CNC(C)(C)C)CCC1C.
What is the InChIKey of 2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is LTFAWOJRHYIUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-8-6-7-9-15(13)17(11-10-14(17)2)12-18-16(3,4)5/h6-9,14,18H,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 66432386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).