N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine

C15H23N3O — CID 131904990

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine
SMILESCCC(Cc1ccco1)NCCn1cnc(C)c1C
InChIInChI=1S/C15H23N3O/c1-4-14(10-15-6-5-9-19-15)16-7-8-18-11-17-12(2)13(18)3/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3
InChIKeyUEYJYIGXKITOCS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine (PubChem CID 131904990) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine
PubChem CID131904990
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine
SMILESCCC(Cc1ccco1)NCCn1cnc(C)c1C
InChIInChI=1S/C15H23N3O/c1-4-14(10-15-6-5-9-19-15)16-7-8-18-11-17-12(2)13(18)3/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3
InChIKeyUEYJYIGXKITOCS-UHFFFAOYSA-N
XLogP2.70
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine (CID 131904990) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine is CCC(Cc1ccco1)NCCn1cnc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine?
The InChIKey is UEYJYIGXKITOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-14(10-15-6-5-9-19-15)16-7-8-18-11-17-12(2)13(18)3/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.70, 7 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)ethyl]-1-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 131904990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).