3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine

C16H26ClN3 — CID 62287804

IUPAC3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
SMILESCCNCc1cnc(N(C)C2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-4-18-10-13-9-15(17)16(19-11-13)20(3)14-7-5-12(2)6-8-14/h9,11-12,14,18H,4-8,10H2,1-3H3
InChIKeyGKPDBGVAERUQOE-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.86
Rot. Bonds5

About 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine

3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine (PubChem CID 62287804) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
PubChem CID62287804
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
SMILESCCNCc1cnc(N(C)C2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-4-18-10-13-9-15(17)16(19-11-13)20(3)14-7-5-12(2)6-8-14/h9,11-12,14,18H,4-8,10H2,1-3H3
InChIKeyGKPDBGVAERUQOE-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine (CID 62287804) is 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine is CCNCc1cnc(N(C)C2CCC(C)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine?
The InChIKey is GKPDBGVAERUQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-18-10-13-9-15(17)16(19-11-13)20(3)14-7-5-12(2)6-8-14/h9,11-12,14,18H,4-8,10H2,1-3H3.
What are the key properties of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine?
3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine has a molecular weight of 295.86 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 62287804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).