2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine

C15H27N3 — CID 79244631

IUPAC2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine
SMILESCCCCN(CC)Cc1cc(NCCC)ccn1
InChIInChI=1S/C15H27N3/c1-4-7-11-18(6-3)13-15-12-14(8-10-17-15)16-9-5-2/h8,10,12H,4-7,9,11,13H2,1-3H3,(H,16,17)
InChIKeyKEGLQTWSKVOJIB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.53
Rot. Bonds9

About 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine

2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine (PubChem CID 79244631) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine
PubChem CID79244631
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine
SMILESCCCCN(CC)Cc1cc(NCCC)ccn1
InChIInChI=1S/C15H27N3/c1-4-7-11-18(6-3)13-15-12-14(8-10-17-15)16-9-5-2/h8,10,12H,4-7,9,11,13H2,1-3H3,(H,16,17)
InChIKeyKEGLQTWSKVOJIB-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine (CID 79244631) is 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine is CCCCN(CC)Cc1cc(NCCC)ccn1.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine?
The InChIKey is KEGLQTWSKVOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-11-18(6-3)13-15-12-14(8-10-17-15)16-9-5-2/h8,10,12H,4-7,9,11,13H2,1-3H3,(H,16,17).
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine?
2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79244631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).