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

C15H22BrN3 — CID 62280389

IUPAC5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(c1ncc(Br)cc1CNC1CC1)C1CCCC1
InChIInChI=1S/C15H22BrN3/c1-19(14-4-2-3-5-14)15-11(8-12(16)10-18-15)9-17-13-6-7-13/h8,10,13-14,17H,2-7,9H2,1H3
InChIKeyYTUULJMKVMTWTB-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.47
Rot. Bonds5

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

5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (PubChem CID 62280389) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
PubChem CID62280389
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(c1ncc(Br)cc1CNC1CC1)C1CCCC1
InChIInChI=1S/C15H22BrN3/c1-19(14-4-2-3-5-14)15-11(8-12(16)10-18-15)9-17-13-6-7-13/h8,10,13-14,17H,2-7,9H2,1H3
InChIKeyYTUULJMKVMTWTB-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
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-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine
CID 64519885
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
N'-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997407
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114061823
5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952955
5-bromo-2-N-cyclopentyl-2-N-methylpyridine-2,3-diamine
CID 61228674

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (CID 62280389) is 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is CN(c1ncc(Br)cc1CNC1CC1)C1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The InChIKey is YTUULJMKVMTWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-19(14-4-2-3-5-14)15-11(8-12(16)10-18-15)9-17-13-6-7-13/h8,10,13-14,17H,2-7,9H2,1H3.
What are the key properties of 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine has a molecular weight of 324.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62280389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).