N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine

C15H21N3O — CID 62345276

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCCC2n2ccnc2)o1
InChIInChI=1S/C15H21N3O/c1-2-12-6-7-13(19-12)10-17-14-4-3-5-15(14)18-9-8-16-11-18/h6-9,11,14-15,17H,2-5,10H2,1H3
InChIKeyBRGHLNAHVXUNPW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine

N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 62345276) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID62345276
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCCC2n2ccnc2)o1
InChIInChI=1S/C15H21N3O/c1-2-12-6-7-13(19-12)10-17-14-4-3-5-15(14)18-9-8-16-11-18/h6-9,11,14-15,17H,2-5,10H2,1H3
InChIKeyBRGHLNAHVXUNPW-UHFFFAOYSA-N
XLogP2.92
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine (CID 62345276) is N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine is CCc1ccc(CNC2CCCC2n2ccnc2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is BRGHLNAHVXUNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-12-6-7-13(19-12)10-17-14-4-3-5-15(14)18-9-8-16-11-18/h6-9,11,14-15,17H,2-5,10H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 62345276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).