2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine

C14H22N4 — CID 66411574

IUPAC2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CNCCc1nccn1C
InChIInChI=1S/C14H22N4/c1-3-9-18-10-4-5-13(18)12-15-7-6-14-16-8-11-17(14)2/h4-5,8,10-11,15H,3,6-7,9,12H2,1-2H3
InChIKeyDJVZCGJYXLYKHO-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.96
Rot. Bonds7

About 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine

2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (PubChem CID 66411574) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
PubChem CID66411574
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CNCCc1nccn1C
InChIInChI=1S/C14H22N4/c1-3-9-18-10-4-5-13(18)12-15-7-6-14-16-8-11-17(14)2/h4-5,8,10-11,15H,3,6-7,9,12H2,1-2H3
InChIKeyDJVZCGJYXLYKHO-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402532
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115762274
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437741
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
N,N-diethyl-4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]aniline
CID 61214429
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66412559
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (CID 66411574) is 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is CCCn1cccc1CNCCc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is DJVZCGJYXLYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-9-18-10-4-5-13(18)12-15-7-6-14-16-8-11-17(14)2/h4-5,8,10-11,15H,3,6-7,9,12H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 66411574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).