5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine

C15H25BrN4 — CID 105417629

IUPAC5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(Br)cnc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H25BrN4/c1-17-9-12-8-13(16)10-18-14(12)20(4)11-15(19(2)3)6-5-7-15/h8,10,17H,5-7,9,11H2,1-4H3
InChIKeyOAZMLXPRCYZRAJ-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.48
Rot. Bonds6

About 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine

5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine (PubChem CID 105417629) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
PubChem CID105417629
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(Br)cnc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H25BrN4/c1-17-9-12-8-13(16)10-18-14(12)20(4)11-15(19(2)3)6-5-7-15/h8,10,17H,5-7,9,11H2,1-4H3
InChIKeyOAZMLXPRCYZRAJ-UHFFFAOYSA-N
XLogP2.48
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 105417609
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105417520
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62295126
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63708110
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 105416018
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107380992
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995
5-bromo-N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281268
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,5-N-dimethylpyridine-3,5-diamine
CID 105420972

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine (CID 105417629) is 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine is CNCc1cc(Br)cnc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The InChIKey is OAZMLXPRCYZRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-17-9-12-8-13(16)10-18-14(12)20(4)11-15(19(2)3)6-5-7-15/h8,10,17H,5-7,9,11H2,1-4H3.
What are the key properties of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine has a molecular weight of 341.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 105417629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).