3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine

C15H27N3 — CID 81050931

IUPAC3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine
SMILESCc1cc(N(C)C(C)C(C)(C)C)c(CN)c(C)n1
InChIInChI=1S/C15H27N3/c1-10-8-14(13(9-16)11(2)17-10)18(7)12(3)15(4,5)6/h8,12H,9,16H2,1-7H3
InChIKeyALLRDQVVBBIBSP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.03
Rot. Bonds3

About 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine

3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine (PubChem CID 81050931) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine
PubChem CID81050931
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine
SMILESCc1cc(N(C)C(C)C(C)(C)C)c(CN)c(C)n1
InChIInChI=1S/C15H27N3/c1-10-8-14(13(9-16)11(2)17-10)18(7)12(3)15(4,5)6/h8,12H,9,16H2,1-7H3
InChIKeyALLRDQVVBBIBSP-UHFFFAOYSA-N
XLogP3.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine (CID 81050931) is 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine is Cc1cc(N(C)C(C)C(C)(C)C)c(CN)c(C)n1.
What is the InChIKey of 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine?
The InChIKey is ALLRDQVVBBIBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10-8-14(13(9-16)11(2)17-10)18(7)12(3)15(4,5)6/h8,12H,9,16H2,1-7H3.
What are the key properties of 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine?
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine is sourced from PubChem (CID 81050931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).