N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine

C14H26N4 — CID 90651072

IUPACN-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCCN1CCC(CN(C)Cc2cnc(C)n2C)C1
InChIInChI=1S/C14H26N4/c1-5-18-7-6-13(10-18)9-16(3)11-14-8-15-12(2)17(14)4/h8,13H,5-7,9-11H2,1-4H3
InChIKeyQTZBMZPIZGBSHS-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.50
Rot. Bonds5

About N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine

N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine (PubChem CID 90651072) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine
PubChem CID90651072
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCCN1CCC(CN(C)Cc2cnc(C)n2C)C1
InChIInChI=1S/C14H26N4/c1-5-18-7-6-13(10-18)9-16(3)11-14-8-15-12(2)17(14)4/h8,13H,5-7,9-11H2,1-4H3
InChIKeyQTZBMZPIZGBSHS-UHFFFAOYSA-N
XLogP1.50
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine (CID 90651072) is N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine is CCN1CCC(CN(C)Cc2cnc(C)n2C)C1.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine?
The InChIKey is QTZBMZPIZGBSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-18-7-6-13(10-18)9-16(3)11-14-8-15-12(2)17(14)4/h8,13H,5-7,9-11H2,1-4H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine?
N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 90651072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).