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

C14H22BrN3O — CID 63708110

IUPAC5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESCNCc1cc(Br)cnc1N(C)CC1CCCOC1
InChIInChI=1S/C14H22BrN3O/c1-16-7-12-6-13(15)8-17-14(12)18(2)9-11-4-3-5-19-10-11/h6,8,11,16H,3-5,7,9-10H2,1-2H3
InChIKeyRJPNUZJNPXYYAF-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.43
Rot. Bonds5

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

5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 63708110) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID63708110
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESCNCc1cc(Br)cnc1N(C)CC1CCCOC1
InChIInChI=1S/C14H22BrN3O/c1-16-7-12-6-13(15)8-17-14(12)18(2)9-11-4-3-5-19-10-11/h6,8,11,16H,3-5,7,9-10H2,1-2H3
InChIKeyRJPNUZJNPXYYAF-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-fluoro-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413890
5-bromo-3-fluoro-N-methyl-N-[[(3S)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413889
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62295126
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347
5-bromo-N-methyl-N-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 66318184
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 105417629
5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 114851430
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
3-bromo-8-N-methyl-8-N-(oxan-3-ylmethyl)quinoline-5,8-diamine
CID 106949377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 63708110) is 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine is CNCc1cc(Br)cnc1N(C)CC1CCCOC1.
What is the InChIKey of 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is RJPNUZJNPXYYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-16-7-12-6-13(15)8-17-14(12)18(2)9-11-4-3-5-19-10-11/h6,8,11,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine?
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 328.25 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 63708110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).