5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine

C13H18BrN3 — CID 62279687

IUPAC5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(c1ncc(Br)cc1CNC1CC1)C1CC1
InChIInChI=1S/C13H18BrN3/c1-17(12-4-5-12)13-9(6-10(14)8-16-13)7-15-11-2-3-11/h6,8,11-12,15H,2-5,7H2,1H3
InChIKeyLPLSEBFDJNPHEZ-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.69
Rot. Bonds5

About 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine

5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (PubChem CID 62279687) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
PubChem CID62279687
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(c1ncc(Br)cc1CNC1CC1)C1CC1
InChIInChI=1S/C13H18BrN3/c1-17(12-4-5-12)13-9(6-10(14)8-16-13)7-15-11-2-3-11/h6,8,11-12,15H,2-5,7H2,1H3
InChIKeyLPLSEBFDJNPHEZ-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine
CID 64519885
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191503
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
N'-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997407
5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952955
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283013
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 114046754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (CID 62279687) is 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is CN(c1ncc(Br)cc1CNC1CC1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The InChIKey is LPLSEBFDJNPHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-17(12-4-5-12)13-9(6-10(14)8-16-13)7-15-11-2-3-11/h6,8,11-12,15H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine has a molecular weight of 296.21 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62279687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).