1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine

C12H18ClN3 — CID 81474899

IUPAC1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2cccc(Cl)n2)CC1N(C)C
InChIInChI=1S/C12H18ClN3/c1-9-7-16(8-10(9)15(2)3)12-6-4-5-11(13)14-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyDQPSOZWLQVUASS-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.12
Rot. Bonds2

About 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine

1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474899) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474899
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2cccc(Cl)n2)CC1N(C)C
InChIInChI=1S/C12H18ClN3/c1-9-7-16(8-10(9)15(2)3)12-6-4-5-11(13)14-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyDQPSOZWLQVUASS-UHFFFAOYSA-N
XLogP2.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.12
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-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 102716081
1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81474528
3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66372105
1-[1-(6-chloro-2-pyridinyl)azetidin-3-yl]-N,N-dimethylmethanamine;oxalic acid
CID 23369524
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 81451106
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methylpyrazin-2-amine
CID 81469556
2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine
CID 79184553
2-chloro-6-(3-ethylpiperidin-1-yl)pyridine
CID 63588602
1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81474455
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
2-(6-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 63586162
5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine
CID 81470286

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine (CID 81474899) is 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(c2cccc(Cl)n2)CC1N(C)C.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is DQPSOZWLQVUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-7-16(8-10(9)15(2)3)12-6-4-5-11(13)14-12/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 239.75 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).