(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

C11H17BrClN3 — CID 71641686

IUPAC(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1ccc(Br)nc1)[C@@H]1CCNC1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c1-15(10-4-5-13-7-10)8-9-2-3-11(12)14-6-9;/h2-3,6,10,13H,4-5,7-8H2,1H3;1H/t10-;/m1./s1
InChIKeyNJLAEQVQRADNLO-HNCPQSOCSA-N
MW306.63 g/mol
LogP2.06
Rot. Bonds3

About (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 71641686) has the molecular formula C11H17BrClN3 and a molecular weight of 306.63 g/mol. Its IUPAC name is (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID71641686
Molecular FormulaC11H17BrClN3
Molecular Weight306.63 g/mol
Exact Mass305.03
IUPAC Name(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1ccc(Br)nc1)[C@@H]1CCNC1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c1-15(10-4-5-13-7-10)8-9-2-3-11(12)14-6-9;/h2-3,6,10,13H,4-5,7-8H2,1H3;1H/t10-;/m1./s1
InChIKeyNJLAEQVQRADNLO-HNCPQSOCSA-N
XLogP2.06
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 ≤ 52.06
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

(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 71641689
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119923094
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 71641686) is (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is CN(Cc1ccc(Br)nc1)[C@@H]1CCNC1.Cl.
What is the InChIKey of (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is NJLAEQVQRADNLO-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16BrN3.ClH/c1-15(10-4-5-13-7-10)8-9-2-3-11(12)14-6-9;/h2-3,6,10,13H,4-5,7-8H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71641686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).