2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine

C10H18N4 — CID 84739674

IUPAC2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
SMILESCn1cnc(C(CN)N2CCCC2)c1
InChIInChI=1S/C10H18N4/c1-13-7-9(12-8-13)10(6-11)14-4-2-3-5-14/h7-8,10H,2-6,11H2,1H3
InChIKeyHOFOPYUVTWWQJC-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.52
Rot. Bonds3

About 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine

2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 84739674) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID84739674
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
SMILESCn1cnc(C(CN)N2CCCC2)c1
InChIInChI=1S/C10H18N4/c1-13-7-9(12-8-13)10(6-11)14-4-2-3-5-14/h7-8,10H,2-6,11H2,1H3
InChIKeyHOFOPYUVTWWQJC-UHFFFAOYSA-N
XLogP0.52
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine (CID 84739674) is 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine is Cn1cnc(C(CN)N2CCCC2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is HOFOPYUVTWWQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-13-7-9(12-8-13)10(6-11)14-4-2-3-5-14/h7-8,10H,2-6,11H2,1H3.
What are the key properties of 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine?
2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 194.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 84739674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).