5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine

C13H22BrN3 — CID 55054995

IUPAC5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1ncc(Br)cc1CNC
InChIInChI=1S/C13H22BrN3/c1-4-6-17(7-5-2)13-11(9-15-3)8-12(14)10-16-13/h8,10,15H,4-7,9H2,1-3H3
InChIKeyVGSRYULIDCGYJK-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.19
Rot. Bonds7

About 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine

5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine (PubChem CID 55054995) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
PubChem CID55054995
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1ncc(Br)cc1CNC
InChIInChI=1S/C13H22BrN3/c1-4-6-17(7-5-2)13-11(9-15-3)8-12(14)10-16-13/h8,10,15H,4-7,9H2,1-3H3
InChIKeyVGSRYULIDCGYJK-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
CID 62285283
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
[5-bromo-2-[2-(dimethylamino)ethyl-propylamino]-3-pyridinyl]methanol
CID 62001126
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
5-bromo-N-ethyl-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279366
5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 62001137
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 105417629
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55059364
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine (CID 55054995) is 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine is CCCN(CCC)c1ncc(Br)cc1CNC.
What is the InChIKey of 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine?
The InChIKey is VGSRYULIDCGYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-4-6-17(7-5-2)13-11(9-15-3)8-12(14)10-16-13/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine?
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine is sourced from PubChem (CID 55054995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).