[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine

C12H18N4O — CID 55144419

IUPAC[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
SMILESCN(Cc1ccc(CN)o1)Cc1nccn1C
InChIInChI=1S/C12H18N4O/c1-15(9-12-14-5-6-16(12)2)8-11-4-3-10(7-13)17-11/h3-6H,7-9,13H2,1-2H3
InChIKeyIFBRGGSBHLQQBA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.10
Rot. Bonds5

About [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine

[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine (PubChem CID 55144419) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
PubChem CID55144419
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
SMILESCN(Cc1ccc(CN)o1)Cc1nccn1C
InChIInChI=1S/C12H18N4O/c1-15(9-12-14-5-6-16(12)2)8-11-4-3-10(7-13)17-11/h3-6H,7-9,13H2,1-2H3
InChIKeyIFBRGGSBHLQQBA-UHFFFAOYSA-N
XLogP1.10
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144617
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060
3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63584455
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63014602
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
CID 77110593
1-(4-hydrazinyl-2-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 79259558
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine (CID 55144419) is [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine is CN(Cc1ccc(CN)o1)Cc1nccn1C.
What is the InChIKey of [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine?
The InChIKey is IFBRGGSBHLQQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15(9-12-14-5-6-16(12)2)8-11-4-3-10(7-13)17-11/h3-6H,7-9,13H2,1-2H3.
What are the key properties of [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine?
[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine has a molecular weight of 234.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 55144419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).