N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine

C16H27N — CID 65308881

IUPACN,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCNCC(C)(C)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27N/c1-12-9-13(2)15(14(3)10-12)7-8-16(4,5)11-17-6/h9-10,17H,7-8,11H2,1-6H3
InChIKeyLYXBNABKOWXDMU-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.79
Rot. Bonds5

About N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine

N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine (PubChem CID 65308881) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
PubChem CID65308881
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCNCC(C)(C)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27N/c1-12-9-13(2)15(14(3)10-12)7-8-16(4,5)11-17-6/h9-10,17H,7-8,11H2,1-6H3
InChIKeyLYXBNABKOWXDMU-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine?
The IUPAC name of N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine (CID 65308881) is N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine?
The canonical SMILES for N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine is CNCC(C)(C)CCc1c(C)cc(C)cc1C.
What is the InChIKey of N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine?
The InChIKey is LYXBNABKOWXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12-9-13(2)15(14(3)10-12)7-8-16(4,5)11-17-6/h9-10,17H,7-8,11H2,1-6H3.
What are the key properties of N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine?
N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 65308881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).