5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine

C13H22ClN3 — CID 55127544

IUPAC5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine
SMILESCC(C)CC(C)N(C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C13H22ClN3/c1-9(2)7-10(3)17(4)8-12-11(14)5-6-13(15)16-12/h5-6,9-10H,7-8H2,1-4H3,(H2,15,16)
InChIKeyZUONJUHEERGKSV-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.18
Rot. Bonds5

About 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine

5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine (PubChem CID 55127544) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine
PubChem CID55127544
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine
SMILESCC(C)CC(C)N(C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C13H22ClN3/c1-9(2)7-10(3)17(4)8-12-11(14)5-6-13(15)16-12/h5-6,9-10H,7-8H2,1-4H3,(H2,15,16)
InChIKeyZUONJUHEERGKSV-UHFFFAOYSA-N
XLogP3.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine (CID 55127544) is 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine is CC(C)CC(C)N(C)Cc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine?
The InChIKey is ZUONJUHEERGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-9(2)7-10(3)17(4)8-12-11(14)5-6-13(15)16-12/h5-6,9-10H,7-8H2,1-4H3,(H2,15,16).
What are the key properties of 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine?
5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 55127544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).