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

C14H22N4 — CID 66406746

IUPACN-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCCn1cncc1Cn1ccc(CNCC)c1
InChIInChI=1S/C14H22N4/c1-3-6-18-12-16-9-14(18)11-17-7-5-13(10-17)8-15-4-2/h5,7,9-10,12,15H,3-4,6,8,11H2,1-2H3
InChIKeyQFHSCJRHBCTHFY-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.25
Rot. Bonds7

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

N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 66406746) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID66406746
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCCn1cncc1Cn1ccc(CNCC)c1
InChIInChI=1S/C14H22N4/c1-3-6-18-12-16-9-14(18)11-17-7-5-13(10-17)8-15-4-2/h5,7,9-10,12,15H,3-4,6,8,11H2,1-2H3
InChIKeyQFHSCJRHBCTHFY-UHFFFAOYSA-N
XLogP2.25
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405543
4-oxo-1-[(3-propylimidazol-4-yl)methyl]pyridine-3-carboxylic acid
CID 114038925
1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105673
N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109904
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404294
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
cyclopropyl-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methanol
CID 79103461
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045524
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
1-[(3-propylimidazol-4-yl)methyl]imidazole-2-carbaldehyde
CID 66154390

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 66406746) is N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine is CCCn1cncc1Cn1ccc(CNCC)c1.
What is the InChIKey of N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is QFHSCJRHBCTHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-6-18-12-16-9-14(18)11-17-7-5-13(10-17)8-15-4-2/h5,7,9-10,12,15H,3-4,6,8,11H2,1-2H3.
What are the key properties of N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66406746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).