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

C14H22ClN3O — CID 62281998

IUPAC3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)CC2CCCCO2)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-16-8-11-7-13(15)14(17-9-11)18(2)10-12-5-3-4-6-19-12/h7,9,12,16H,3-6,8,10H2,1-2H3
InChIKeyJKPSOLRGPYAHKU-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.46
Rot. Bonds5

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

3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine (PubChem CID 62281998) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
PubChem CID62281998
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)CC2CCCCO2)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-16-8-11-7-13(15)14(17-9-11)18(2)10-12-5-3-4-6-19-12/h7,9,12,16H,3-6,8,10H2,1-2H3
InChIKeyJKPSOLRGPYAHKU-UHFFFAOYSA-N
XLogP2.46
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine (CID 62281998) is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine is CNCc1cnc(N(C)CC2CCCCO2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine?
The InChIKey is JKPSOLRGPYAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-16-8-11-7-13(15)14(17-9-11)18(2)10-12-5-3-4-6-19-12/h7,9,12,16H,3-6,8,10H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine?
3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine has a molecular weight of 283.80 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62281998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).