5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine

C16H28ClN3 — CID 63489637

IUPAC5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine
SMILESCCNCc1nc(N(CC)CC(CC)CC)ccc1Cl
InChIInChI=1S/C16H28ClN3/c1-5-13(6-2)12-20(8-4)16-10-9-14(17)15(19-16)11-18-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3
InChIKeyVEQUQTRDEVSDIN-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.11
Rot. Bonds9

About 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine

5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine (PubChem CID 63489637) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine
PubChem CID63489637
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine
SMILESCCNCc1nc(N(CC)CC(CC)CC)ccc1Cl
InChIInChI=1S/C16H28ClN3/c1-5-13(6-2)12-20(8-4)16-10-9-14(17)15(19-16)11-18-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3
InChIKeyVEQUQTRDEVSDIN-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.11
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-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine (CID 63489637) is 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine is CCNCc1nc(N(CC)CC(CC)CC)ccc1Cl.
What is the InChIKey of 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine?
The InChIKey is VEQUQTRDEVSDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-5-13(6-2)12-20(8-4)16-10-9-14(17)15(19-16)11-18-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine?
5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine has a molecular weight of 297.87 g/mol, XLogP of 4.11, 9 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-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine is sourced from PubChem (CID 63489637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).