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

C12H18N4 — CID 66402532

IUPACN-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1nccn1C
InChIInChI=1S/C12H18N4/c1-3-13-9-11-5-4-7-16(11)10-12-14-6-8-15(12)2/h4-8,13H,3,9-10H2,1-2H3
InChIKeyYHTNRCBHTUSCNG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.38
Rot. Bonds5

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

N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 66402532) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID66402532
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1nccn1C
InChIInChI=1S/C12H18N4/c1-3-13-9-11-5-4-7-16(11)10-12-14-6-8-15(12)2/h4-8,13H,3,9-10H2,1-2H3
InChIKeyYHTNRCBHTUSCNG-UHFFFAOYSA-N
XLogP1.38
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 66401757
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402917
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402830
1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652451
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527280
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine (CID 66402532) is N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1Cc1nccn1C.
What is the InChIKey of N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is YHTNRCBHTUSCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-13-9-11-5-4-7-16(11)10-12-14-6-8-15(12)2/h4-8,13H,3,9-10H2,1-2H3.
What are the key properties of N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66402532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).