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

C13H22ClN3 — CID 79480696

IUPAC5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine
SMILESCCC(C)CN(CC)Cc1nc(N)ccc1Cl
InChIInChI=1S/C13H22ClN3/c1-4-10(3)8-17(5-2)9-12-11(14)6-7-13(15)16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16)
InChIKeyPUUXYAICZBDHJE-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.19
Rot. Bonds6

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

5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine (PubChem CID 79480696) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine
PubChem CID79480696
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine
SMILESCCC(C)CN(CC)Cc1nc(N)ccc1Cl
InChIInChI=1S/C13H22ClN3/c1-4-10(3)8-17(5-2)9-12-11(14)6-7-13(15)16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16)
InChIKeyPUUXYAICZBDHJE-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine
CID 62890774
6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine
CID 62892716
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
CID 62893036
5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine
CID 63956306
5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine
CID 55127544
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554407
5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine
CID 107756582
5-chloro-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 62890602
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 62890496
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 80663064
6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine
CID 62890943
6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62298768

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine (CID 79480696) is 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine is CCC(C)CN(CC)Cc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine?
The InChIKey is PUUXYAICZBDHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-10(3)8-17(5-2)9-12-11(14)6-7-13(15)16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16).
What are the key properties of 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine?
5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[ethyl(2-methylbutyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 79480696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).