N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine

C14H19N3O — CID 62441010

IUPACN-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCc1ncn(Cc2occc2CNC2CC2)c1C
InChIInChI=1S/C14H19N3O/c1-10-11(2)17(9-16-10)8-14-12(5-6-18-14)7-15-13-3-4-13/h5-6,9,13,15H,3-4,7-8H2,1-2H3
InChIKeyXADFLRFPBVEFBV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.39
Rot. Bonds5

About N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62441010) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62441010
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCc1ncn(Cc2occc2CNC2CC2)c1C
InChIInChI=1S/C14H19N3O/c1-10-11(2)17(9-16-10)8-14-12(5-6-18-14)7-15-13-3-4-13/h5-6,9,13,15H,3-4,7-8H2,1-2H3
InChIKeyXADFLRFPBVEFBV-UHFFFAOYSA-N
XLogP2.39
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62442166
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081
N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62448348
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102745973
N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 63619960
N-[[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62973751
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 62351599

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (CID 62441010) is N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is Cc1ncn(Cc2occc2CNC2CC2)c1C.
What is the InChIKey of N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is XADFLRFPBVEFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-11(2)17(9-16-10)8-14-12(5-6-18-14)7-15-13-3-4-13/h5-6,9,13,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 245.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62441010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).