1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine

C14H20N4 — CID 79102647

IUPAC1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1Cc1cncn1C1CC1
InChIInChI=1S/C14H20N4/c1-11(15-2)14-4-3-7-17(14)9-13-8-16-10-18(13)12-5-6-12/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3
InChIKeyMGBRHIZKDYMDAQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.35
Rot. Bonds5

About 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine

1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine (PubChem CID 79102647) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine
PubChem CID79102647
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1Cc1cncn1C1CC1
InChIInChI=1S/C14H20N4/c1-11(15-2)14-4-3-7-17(14)9-13-8-16-10-18(13)12-5-6-12/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3
InChIKeyMGBRHIZKDYMDAQ-UHFFFAOYSA-N
XLogP2.35
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine (CID 79102647) is 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine is CNC(C)c1cccn1Cc1cncn1C1CC1.
What is the InChIKey of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine?
The InChIKey is MGBRHIZKDYMDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(15-2)14-4-3-7-17(14)9-13-8-16-10-18(13)12-5-6-12/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3.
What are the key properties of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine?
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine is sourced from PubChem (CID 79102647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).