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

C13H20N4O — CID 55144617

IUPAC[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
SMILESCc1cc(CN(C)Cc2nccn2C)oc1CN
InChIInChI=1S/C13H20N4O/c1-10-6-11(18-12(10)7-14)8-16(2)9-13-15-4-5-17(13)3/h4-6H,7-9,14H2,1-3H3
InChIKeyVTNDRZOEUXOBGQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds5

About [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine

[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine (PubChem CID 55144617) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
PubChem CID55144617
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
SMILESCc1cc(CN(C)Cc2nccn2C)oc1CN
InChIInChI=1S/C13H20N4O/c1-10-6-11(18-12(10)7-14)8-16(2)9-13-15-4-5-17(13)3/h4-6H,7-9,14H2,1-3H3
InChIKeyVTNDRZOEUXOBGQ-UHFFFAOYSA-N
XLogP1.41
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63584455
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80635374
N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63026882
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63024829
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
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
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine?
The IUPAC name of [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine (CID 55144617) is [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine is Cc1cc(CN(C)Cc2nccn2C)oc1CN.
What is the InChIKey of [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine?
The InChIKey is VTNDRZOEUXOBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-6-11(18-12(10)7-14)8-16(2)9-13-15-4-5-17(13)3/h4-6H,7-9,14H2,1-3H3.
What are the key properties of [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine?
[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine has a molecular weight of 248.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 55144617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).