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

C15H26ClN3 — CID 62280062

IUPAC5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(CC(C)C)c1ccc(Cl)c(CNC(C)C)n1
InChIInChI=1S/C15H26ClN3/c1-6-19(10-11(2)3)15-8-7-13(16)14(18-15)9-17-12(4)5/h7-8,11-12,17H,6,9-10H2,1-5H3
InChIKeyKRMVICWETKMSGN-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.72
Rot. Bonds7

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

5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62280062) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62280062
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(CC(C)C)c1ccc(Cl)c(CNC(C)C)n1
InChIInChI=1S/C15H26ClN3/c1-6-19(10-11(2)3)15-8-7-13(16)14(18-15)9-17-12(4)5/h7-8,11-12,17H,6,9-10H2,1-5H3
InChIKeyKRMVICWETKMSGN-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.72
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-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62280062) is 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CCN(CC(C)C)c1ccc(Cl)c(CNC(C)C)n1.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is KRMVICWETKMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-6-19(10-11(2)3)15-8-7-13(16)14(18-15)9-17-12(4)5/h7-8,11-12,17H,6,9-10H2,1-5H3.
What are the key properties of 5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 283.85 g/mol, XLogP of 3.72, 7 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-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62280062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).