1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H28N4 — CID 81469249

IUPAC1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNCc1cnc(C)cc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H28N4/c1-6-17-8-14-9-18-13(3)7-15(14)20-10-12(2)16(11-20)19(4)5/h7,9,12,16-17H,6,8,10-11H2,1-5H3
InChIKeyOABDMAKPEJIYNS-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.89
Rot. Bonds5

About 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81469249) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81469249
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNCc1cnc(C)cc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H28N4/c1-6-17-8-14-9-18-13(3)7-15(14)20-10-12(2)16(11-20)19(4)5/h7,9,12,16-17H,6,8,10-11H2,1-5H3
InChIKeyOABDMAKPEJIYNS-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81469249) is 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine is CCNCc1cnc(C)cc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is OABDMAKPEJIYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-17-8-14-9-18-13(3)7-15(14)20-10-12(2)16(11-20)19(4)5/h7,9,12,16-17H,6,8,10-11H2,1-5H3.
What are the key properties of 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81469249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).