N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine

C11H16N4 — CID 66403106

IUPACN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
SMILESCNCc1cccn1Cc1cncn1C
InChIInChI=1S/C11H16N4/c1-12-6-10-4-3-5-15(10)8-11-7-13-9-14(11)2/h3-5,7,9,12H,6,8H2,1-2H3
InChIKeyUGSAQLAIJSUQKT-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.99
Rot. Bonds4

About N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine

N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine (PubChem CID 66403106) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
PubChem CID66403106
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
SMILESCNCc1cccn1Cc1cncn1C
InChIInChI=1S/C11H16N4/c1-12-6-10-4-3-5-15(10)8-11-7-13-9-14(11)2/h3-5,7,9,12H,6,8H2,1-2H3
InChIKeyUGSAQLAIJSUQKT-UHFFFAOYSA-N
XLogP0.99
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402333
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916641
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579
N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
CID 66400952
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66142150
4-bromo-1-[(3-methylimidazol-4-yl)methyl]indole
CID 116626077
N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
CID 66403495
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
CID 66400746
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
4-[2-(methylaminomethyl)pyrrol-1-yl]butanenitrile
CID 66400963

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine (CID 66403106) is N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine is CNCc1cccn1Cc1cncn1C.
What is the InChIKey of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine?
The InChIKey is UGSAQLAIJSUQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-12-6-10-4-3-5-15(10)8-11-7-13-9-14(11)2/h3-5,7,9,12H,6,8H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine?
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine has a molecular weight of 204.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 66403106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).