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

C12H15N3O — CID 106887299

IUPACN-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCn1ccnc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C12H15N3O/c1-15-7-6-13-12(15)11-5-4-10(16-11)8-14-9-2-3-9/h4-7,9,14H,2-3,8H2,1H3
InChIKeyGZUBQQYBIHSDEB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds4

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

N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106887299) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106887299
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCn1ccnc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C12H15N3O/c1-15-7-6-13-12(15)11-5-4-10(16-11)8-14-9-2-3-9/h4-7,9,14H,2-3,8H2,1H3
InChIKeyGZUBQQYBIHSDEB-UHFFFAOYSA-N
XLogP1.93
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 106887547
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
N-[[5-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886973
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106889049
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624931
N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine
CID 106887317
N-[(2-methyl-1,3-oxazol-5-yl)methyl]cyclopropanamine
CID 117192172
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)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine (CID 106887299) is N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine is Cn1ccnc1-c1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is GZUBQQYBIHSDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-7-6-13-12(15)11-5-4-10(16-11)8-14-9-2-3-9/h4-7,9,14H,2-3,8H2,1H3.
What are the key properties of N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 217.27 g/mol, XLogP of 1.93, 4 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)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106887299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).