5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H28ClN3 — CID 62280243

IUPAC5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CC(C)C)c1ccc(Cl)c(CNCC(C)C)n1
InChIInChI=1S/C16H28ClN3/c1-6-20(11-13(4)5)16-8-7-14(17)15(19-16)10-18-9-12(2)3/h7-8,12-13,18H,6,9-11H2,1-5H3
InChIKeyQMOBIYVABXFKHO-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.96
Rot. Bonds8

About 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine

5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62280243) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62280243
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CC(C)C)c1ccc(Cl)c(CNCC(C)C)n1
InChIInChI=1S/C16H28ClN3/c1-6-20(11-13(4)5)16-8-7-14(17)15(19-16)10-18-9-12(2)3/h7-8,12-13,18H,6,9-11H2,1-5H3
InChIKeyQMOBIYVABXFKHO-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62280243) is 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine is CCN(CC(C)C)c1ccc(Cl)c(CNCC(C)C)n1.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is QMOBIYVABXFKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-6-20(11-13(4)5)16-8-7-14(17)15(19-16)10-18-9-12(2)3/h7-8,12-13,18H,6,9-11H2,1-5H3.
What are the key properties of 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 297.87 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62280243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).