1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C16H28N4 — CID 62889389

IUPAC1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCNCc1c(C)cc(C)nc1N1CCCC1CN(C)C
InChIInChI=1S/C16H28N4/c1-12-9-13(2)18-16(15(12)10-17-3)20-8-6-7-14(20)11-19(4)5/h9,14,17H,6-8,10-11H2,1-5H3
InChIKeyQPTJUVISOREOKJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.95
Rot. Bonds5

About 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62889389) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62889389
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCNCc1c(C)cc(C)nc1N1CCCC1CN(C)C
InChIInChI=1S/C16H28N4/c1-12-9-13(2)18-16(15(12)10-17-3)20-8-6-7-14(20)11-19(4)5/h9,14,17H,6-8,10-11H2,1-5H3
InChIKeyQPTJUVISOREOKJ-UHFFFAOYSA-N
XLogP1.95
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62889389) is 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CNCc1c(C)cc(C)nc1N1CCCC1CN(C)C.
What is the InChIKey of 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is QPTJUVISOREOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12-9-13(2)18-16(15(12)10-17-3)20-8-6-7-14(20)11-19(4)5/h9,14,17H,6-8,10-11H2,1-5H3.
What are the key properties of 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 276.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62889389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).