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

C13H19N3O — CID 62565271

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCc1ncn(CCNC(C)c2ccco2)c1C
InChIInChI=1S/C13H19N3O/c1-10-12(3)16(9-15-10)7-6-14-11(2)13-5-4-8-17-13/h4-5,8-9,11,14H,6-7H2,1-3H3
InChIKeyFCEFTRPRPNHMTA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds5

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

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 62565271) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID62565271
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCc1ncn(CCNC(C)c2ccco2)c1C
InChIInChI=1S/C13H19N3O/c1-10-12(3)16(9-15-10)7-6-14-11(2)13-5-4-8-17-13/h4-5,8-9,11,14H,6-7H2,1-3H3
InChIKeyFCEFTRPRPNHMTA-UHFFFAOYSA-N
XLogP2.44
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
CID 62563208
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)butan-2-amine
CID 131904990
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine
CID 62565072
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine
CID 62566217
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one
CID 62924452
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
CID 62566253
(1R)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81399912
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
CID 62565856
N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62564897

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine (CID 62565271) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine is Cc1ncn(CCNC(C)c2ccco2)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is FCEFTRPRPNHMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-12(3)16(9-15-10)7-6-14-11(2)13-5-4-8-17-13/h4-5,8-9,11,14H,6-7H2,1-3H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.44, 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)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 62565271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).