6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride

C11H17BrClN3 — CID 71642240

IUPAC6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride
SMILESCN(CC1CCNC1)c1cccc(Br)n1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c1-15(8-9-5-6-13-7-9)11-4-2-3-10(12)14-11;/h2-4,9,13H,5-8H2,1H3;1H
InChIKeyBFNZCNXLIYUQGD-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.31
Rot. Bonds3

About 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride

6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride (PubChem CID 71642240) has the molecular formula C11H17BrClN3 and a molecular weight of 306.63 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride
PubChem CID71642240
Molecular FormulaC11H17BrClN3
Molecular Weight306.63 g/mol
Exact Mass305.03
IUPAC Name6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride
SMILESCN(CC1CCNC1)c1cccc(Br)n1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c1-15(8-9-5-6-13-7-9)11-4-2-3-10(12)14-11;/h2-4,9,13H,5-8H2,1H3;1H
InChIKeyBFNZCNXLIYUQGD-UHFFFAOYSA-N
XLogP2.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,6-dimethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164558
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine
CID 118970389
6-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164559
N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973535
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709657
N-methyl-6-(1,3-oxazol-5-yl)-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 22560456
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
CID 63962824
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
6-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973542
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164638
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride (CID 71642240) is 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride is CN(CC1CCNC1)c1cccc(Br)n1.Cl.
What is the InChIKey of 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride?
The InChIKey is BFNZCNXLIYUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3.ClH/c1-15(8-9-5-6-13-7-9)11-4-2-3-10(12)14-11;/h2-4,9,13H,5-8H2,1H3;1H.
What are the key properties of 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride?
6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 71642240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).