4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine

C15H27N3 — CID 62465932

IUPAC4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)CCC(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-5-8-16-15-11-14(6-9-17-15)12-18(4)10-7-13(2)3/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,16,17)
InChIKeyVUQSULJFROAHTG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.38
Rot. Bonds8

About 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine

4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62465932) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62465932
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)CCC(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-5-8-16-15-11-14(6-9-17-15)12-18(4)10-7-13(2)3/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,16,17)
InChIKeyVUQSULJFROAHTG-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine (CID 62465932) is 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1cc(CN(C)CCC(C)C)ccn1.
What is the InChIKey of 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is VUQSULJFROAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-16-15-11-14(6-9-17-15)12-18(4)10-7-13(2)3/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,16,17).
What are the key properties of 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62465932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).