3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine

C13H20BrN3 — CID 106619617

IUPAC3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
SMILESCCCN(CC1CCCN1)c1ccncc1Br
InChIInChI=1S/C13H20BrN3/c1-2-8-17(10-11-4-3-6-16-11)13-5-7-15-9-12(13)14/h5,7,9,11,16H,2-4,6,8,10H2,1H3
InChIKeyOUYGANGOFVSDCB-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.81
Rot. Bonds5

About 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine

3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine (PubChem CID 106619617) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
PubChem CID106619617
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
SMILESCCCN(CC1CCCN1)c1ccncc1Br
InChIInChI=1S/C13H20BrN3/c1-2-8-17(10-11-4-3-6-16-11)13-5-7-15-9-12(13)14/h5,7,9,11,16H,2-4,6,8,10H2,1H3
InChIKeyOUYGANGOFVSDCB-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 106619840
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724
4-bromo-2-(2-hydroxyethyl)-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619580
1-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)imidazo[4,5-c]pyridin-4-amine
CID 106619625
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine (CID 106619617) is 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine is CCCN(CC1CCCN1)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine?
The InChIKey is OUYGANGOFVSDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-2-8-17(10-11-4-3-6-16-11)13-5-7-15-9-12(13)14/h5,7,9,11,16H,2-4,6,8,10H2,1H3.
What are the key properties of 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine?
3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 106619617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).