N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine

C14H22N4 — CID 79099771

IUPACN-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine
SMILESCCNC(C)c1ccn(Cc2cncn2CC)c1
InChIInChI=1S/C14H22N4/c1-4-16-12(3)13-6-7-17(9-13)10-14-8-15-11-18(14)5-2/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyOQCYICIDRRQDTF-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.42
Rot. Bonds6

About N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine

N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine (PubChem CID 79099771) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine
PubChem CID79099771
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine
SMILESCCNC(C)c1ccn(Cc2cncn2CC)c1
InChIInChI=1S/C14H22N4/c1-4-16-12(3)13-6-7-17(9-13)10-14-8-15-11-18(14)5-2/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyOQCYICIDRRQDTF-UHFFFAOYSA-N
XLogP2.42
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine (CID 79099771) is N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine is CCNC(C)c1ccn(Cc2cncn2CC)c1.
What is the InChIKey of N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine?
The InChIKey is OQCYICIDRRQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-16-12(3)13-6-7-17(9-13)10-14-8-15-11-18(14)5-2/h6-9,11-12,16H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine?
N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79099771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).