N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine

C13H17N3O — CID 106887547

IUPACN-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCn1ccnc1Cc1ccc(CNC2CC2)o1
InChIInChI=1S/C13H17N3O/c1-16-7-6-14-13(16)8-11-4-5-12(17-11)9-15-10-2-3-10/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyGHPMCDXISXOJQS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds5

About N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 106887547) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID106887547
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCn1ccnc1Cc1ccc(CNC2CC2)o1
InChIInChI=1S/C13H17N3O/c1-16-7-6-14-13(16)8-11-4-5-12(17-11)9-15-10-2-3-10/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyGHPMCDXISXOJQS-UHFFFAOYSA-N
XLogP1.86
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine
CID 106887299
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
6-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridazin-3-amine
CID 63025331
5-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024808
N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62440129
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343468

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 106887547) is N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine is Cn1ccnc1Cc1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is GHPMCDXISXOJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-7-6-14-13(16)8-11-4-5-12(17-11)9-15-10-2-3-10/h4-7,10,15H,2-3,8-9H2,1H3.
What are the key properties of N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 231.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106887547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).