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

C12H18N4 — CID 66400746

IUPACN-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
SMILESCNCc1cccn1CCn1ccnc1C
InChIInChI=1S/C12H18N4/c1-11-14-5-7-15(11)8-9-16-6-3-4-12(16)10-13-2/h3-7,13H,8-10H2,1-2H3
InChIKeyTWQGIBNEYINYCF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.41
Rot. Bonds5

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

N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine (PubChem CID 66400746) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
PubChem CID66400746
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
SMILESCNCc1cccn1CCn1ccnc1C
InChIInChI=1S/C12H18N4/c1-11-14-5-7-15(11)8-9-16-6-3-4-12(16)10-13-2/h3-7,13H,8-10H2,1-2H3
InChIKeyTWQGIBNEYINYCF-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile
CID 114652667
N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
CID 66403495
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
CID 66400952
N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
CID 112608370
4-[2-(methylaminomethyl)pyrrol-1-yl]butanenitrile
CID 66400963
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
CID 66402331
[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]methanol
CID 62223688
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 66403693
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 104565466
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402333

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine (CID 66400746) is N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine is CNCc1cccn1CCn1ccnc1C.
What is the InChIKey of N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine?
The InChIKey is TWQGIBNEYINYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-11-14-5-7-15(11)8-9-16-6-3-4-12(16)10-13-2/h3-7,13H,8-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine?
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine has a molecular weight of 218.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 66400746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).