2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine

C16H27N — CID 82129151

IUPAC2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine
SMILESCc1cc(C)c(C)c(CCCC(C)(C)N)c1C
InChIInChI=1S/C16H27N/c1-11-10-12(2)14(4)15(13(11)3)8-7-9-16(5,6)17/h10H,7-9,17H2,1-6H3
InChIKeySWACBLJRMQBWNQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.98
Rot. Bonds4

About 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine

2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine (PubChem CID 82129151) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine.

Molecular Properties

Compound Name2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine
PubChem CID82129151
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine
SMILESCc1cc(C)c(C)c(CCCC(C)(C)N)c1C
InChIInChI=1S/C16H27N/c1-11-10-12(2)14(4)15(13(11)3)8-7-9-16(5,6)17/h10H,7-9,17H2,1-6H3
InChIKeySWACBLJRMQBWNQ-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine?
The IUPAC name of 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine (CID 82129151) is 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine.
What is the SMILES notation for 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine?
The canonical SMILES for 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine is Cc1cc(C)c(C)c(CCCC(C)(C)N)c1C.
What is the InChIKey of 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine?
The InChIKey is SWACBLJRMQBWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11-10-12(2)14(4)15(13(11)3)8-7-9-16(5,6)17/h10H,7-9,17H2,1-6H3.
What are the key properties of 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine?
2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine is sourced from PubChem (CID 82129151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).