5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine

C15H27N3 — CID 80629781

IUPAC5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(CN)cc1C
InChIInChI=1S/C15H27N3/c1-5-13(6-2)11-18(7-3)15-12(4)8-14(9-16)10-17-15/h8,10,13H,5-7,9,11,16H2,1-4H3
InChIKeyDXSCTAZJYRDHLZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds7

About 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine

5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine (PubChem CID 80629781) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine
PubChem CID80629781
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(CN)cc1C
InChIInChI=1S/C15H27N3/c1-5-13(6-2)11-18(7-3)15-12(4)8-14(9-16)10-17-15/h8,10,13H,5-7,9,11,16H2,1-4H3
InChIKeyDXSCTAZJYRDHLZ-UHFFFAOYSA-N
XLogP3.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine (CID 80629781) is 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine is CCC(CC)CN(CC)c1ncc(CN)cc1C.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine?
The InChIKey is DXSCTAZJYRDHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-13(6-2)11-18(7-3)15-12(4)8-14(9-16)10-17-15/h8,10,13H,5-7,9,11,16H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine?
5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 80629781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).