3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine

C13H22N2 — CID 83144536

IUPAC3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine
SMILESCc1cnccc1NCC(C)C(C)(C)C
InChIInChI=1S/C13H22N2/c1-10-8-14-7-6-12(10)15-9-11(2)13(3,4)5/h6-8,11H,9H2,1-5H3,(H,14,15)
InChIKeyWSOFEWQHAWGBNT-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.48
Rot. Bonds3

About 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine

3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine (PubChem CID 83144536) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine
PubChem CID83144536
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine
SMILESCc1cnccc1NCC(C)C(C)(C)C
InChIInChI=1S/C13H22N2/c1-10-8-14-7-6-12(10)15-9-11(2)13(3,4)5/h6-8,11H,9H2,1-5H3,(H,14,15)
InChIKeyWSOFEWQHAWGBNT-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine?
The IUPAC name of 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine (CID 83144536) is 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine.
What is the SMILES notation for 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine?
The canonical SMILES for 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine is Cc1cnccc1NCC(C)C(C)(C)C.
What is the InChIKey of 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine?
The InChIKey is WSOFEWQHAWGBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-8-14-7-6-12(10)15-9-11(2)13(3,4)5/h6-8,11H,9H2,1-5H3,(H,14,15).
What are the key properties of 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine?
3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine has a molecular weight of 206.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine is sourced from PubChem (CID 83144536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).