5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine

C12H20ClN3 — CID 62890774

IUPAC5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine
SMILESCCC(C)CN(C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C12H20ClN3/c1-4-9(2)7-16(3)8-11-10(13)5-6-12(14)15-11/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15)
InChIKeyATJCKGRQEBXWDW-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.80
Rot. Bonds5

About 5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine

5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine (PubChem CID 62890774) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine
PubChem CID62890774
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine
SMILESCCC(C)CN(C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C12H20ClN3/c1-4-9(2)7-16(3)8-11-10(13)5-6-12(14)15-11/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15)
InChIKeyATJCKGRQEBXWDW-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.80
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(2-methylbutyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine (CID 62890774) is 5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine is CCC(C)CN(C)Cc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine?
The InChIKey is ATJCKGRQEBXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-9(2)7-16(3)8-11-10(13)5-6-12(14)15-11/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15).
What are the key properties of 5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine?
5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.80, 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(2-methylbutyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 62890774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).