6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine

C14H24ClN3O — CID 55127400

IUPAC6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine
SMILESCCC(C)N(CCOC)Cc1nc(NC)ccc1Cl
InChIInChI=1S/C14H24ClN3O/c1-5-11(2)18(8-9-19-4)10-13-12(15)6-7-14(16-3)17-13/h6-7,11H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyVGGLLPKWOHJCEV-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.02
Rot. Bonds8

About 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine

6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine (PubChem CID 55127400) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine
PubChem CID55127400
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine
SMILESCCC(C)N(CCOC)Cc1nc(NC)ccc1Cl
InChIInChI=1S/C14H24ClN3O/c1-5-11(2)18(8-9-19-4)10-13-12(15)6-7-14(16-3)17-13/h6-7,11H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyVGGLLPKWOHJCEV-UHFFFAOYSA-N
XLogP3.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine?
The IUPAC name of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine (CID 55127400) is 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine is CCC(C)N(CCOC)Cc1nc(NC)ccc1Cl.
What is the InChIKey of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine?
The InChIKey is VGGLLPKWOHJCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-11(2)18(8-9-19-4)10-13-12(15)6-7-14(16-3)17-13/h6-7,11H,5,8-10H2,1-4H3,(H,16,17).
What are the key properties of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine?
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine has a molecular weight of 285.82 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 55127400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).