6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine

C12H18ClN3O — CID 55054544

IUPAC6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
SMILESCN(c1ccc(Cl)c(CN)n1)C1CCOCC1
InChIInChI=1S/C12H18ClN3O/c1-16(9-4-6-17-7-5-9)12-3-2-10(13)11(8-14)15-12/h2-3,9H,4-8,14H2,1H3
InChIKeySXTPXQGJGBVTKQ-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.81
Rot. Bonds3

About 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine

6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 55054544) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
PubChem CID55054544
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
SMILESCN(c1ccc(Cl)c(CN)n1)C1CCOCC1
InChIInChI=1S/C12H18ClN3O/c1-16(9-4-6-17-7-5-9)12-3-2-10(13)11(8-14)15-12/h2-3,9H,4-8,14H2,1H3
InChIKeySXTPXQGJGBVTKQ-UHFFFAOYSA-N
XLogP1.81
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine (CID 55054544) is 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine is CN(c1ccc(Cl)c(CN)n1)C1CCOCC1.
What is the InChIKey of 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is SXTPXQGJGBVTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16(9-4-6-17-7-5-9)12-3-2-10(13)11(8-14)15-12/h2-3,9H,4-8,14H2,1H3.
What are the key properties of 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine?
6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 55054544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).