1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H19Cl2N3 — CID 62885085

IUPAC1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-17(2)8-10-4-3-7-18(10)9-12-11(14)5-6-13(15)16-12/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyWKHQZBHEPOMRRZ-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.91
Rot. Bonds4

About 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62885085) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62885085
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-17(2)8-10-4-3-7-18(10)9-12-11(14)5-6-13(15)16-12/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyWKHQZBHEPOMRRZ-UHFFFAOYSA-N
XLogP2.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,6-dichloro-2-pyridinyl)methyl]-2-ethylazepane
CID 104689621
3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine
CID 62891492
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 62890575
ethyl 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62892694
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine
CID 62890747
6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 82980192
[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778580
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 104808848
1-[1-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888362
5-chloro-N-ethyl-6-[(2-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62891478
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
CID 102985057

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62885085) is 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1Cc1nc(Cl)ccc1Cl.
What is the InChIKey of 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is WKHQZBHEPOMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-17(2)8-10-4-3-7-18(10)9-12-11(14)5-6-13(15)16-12/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 288.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62885085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).