1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H20BrN3 — CID 104808848

IUPAC1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1Cc1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3/c1-16(2)10-13-4-3-7-17(13)9-12-6-5-11(14)8-15-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyLEJDQQQKYJKXKW-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.37
Rot. Bonds4

About 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 104808848) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID104808848
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1Cc1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3/c1-16(2)10-13-4-3-7-17(13)9-12-6-5-11(14)8-15-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyLEJDQQQKYJKXKW-UHFFFAOYSA-N
XLogP2.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 82980192
1-[(5-bromo-2-pyridinyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 104808936
1-[1-[(5-bromo-2-pyridinyl)methyl]azepan-2-yl]propan-2-ol
CID 114338968
[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311630
5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102785132
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine
CID 115666639
1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885085
2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979557
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
1-[1-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888362

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 104808848) is 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1Cc1ccc(Br)cn1.
What is the InChIKey of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is LEJDQQQKYJKXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-16(2)10-13-4-3-7-17(13)9-12-6-5-11(14)8-15-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 298.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 104808848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).