5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine

C14H24ClN3 — CID 55127729

IUPAC5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(C)C(C)C(C)C)n1
InChIInChI=1S/C14H24ClN3/c1-6-16-14-8-7-12(15)13(17-14)9-18(5)11(4)10(2)3/h7-8,10-11H,6,9H2,1-5H3,(H,16,17)
InChIKeyVSLWXINWIWONLE-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.64
Rot. Bonds6

About 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine

5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine (PubChem CID 55127729) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
PubChem CID55127729
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(C)C(C)C(C)C)n1
InChIInChI=1S/C14H24ClN3/c1-6-16-14-8-7-12(15)13(17-14)9-18(5)11(4)10(2)3/h7-8,10-11H,6,9H2,1-5H3,(H,16,17)
InChIKeyVSLWXINWIWONLE-UHFFFAOYSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 62891142
N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine
CID 62892495
5-chloro-N-ethyl-6-[[ethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62890418
5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62890809
5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine
CID 63501225
5-chloro-6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62892052
2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol
CID 62891160
5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62890794
5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine
CID 106449250
2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide
CID 62890626
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine
CID 62891307

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine (CID 55127729) is 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine is CCNc1ccc(Cl)c(CN(C)C(C)C(C)C)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The InChIKey is VSLWXINWIWONLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-6-16-14-8-7-12(15)13(17-14)9-18(5)11(4)10(2)3/h7-8,10-11H,6,9H2,1-5H3,(H,16,17).
What are the key properties of 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 55127729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).