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

C15H24ClN3 — CID 62288638

IUPAC3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)C2CCCCC2C)c(Cl)c1
InChIInChI=1S/C15H24ClN3/c1-11-6-4-5-7-14(11)19(3)15-13(16)8-12(9-17-2)10-18-15/h8,10-11,14,17H,4-7,9H2,1-3H3
InChIKeyIBLFKRMDHGXMLM-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.47
Rot. Bonds4

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

3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine (PubChem CID 62288638) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine
PubChem CID62288638
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)C2CCCCC2C)c(Cl)c1
InChIInChI=1S/C15H24ClN3/c1-11-6-4-5-7-14(11)19(3)15-13(16)8-12(9-17-2)10-18-15/h8,10-11,14,17H,4-7,9H2,1-3H3
InChIKeyIBLFKRMDHGXMLM-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine (CID 62288638) is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine is CNCc1cnc(N(C)C2CCCCC2C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine?
The InChIKey is IBLFKRMDHGXMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-11-6-4-5-7-14(11)19(3)15-13(16)8-12(9-17-2)10-18-15/h8,10-11,14,17H,4-7,9H2,1-3H3.
What are the key properties of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine?
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 62288638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).