N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine

C15H21N3O — CID 66140201

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2cncn2C2CC2)c(C)o1
InChIInChI=1S/C15H21N3O/c1-10-6-15(12(3)19-10)11(2)17-8-14-7-16-9-18(14)13-4-5-13/h6-7,9,11,13,17H,4-5,8H2,1-3H3
InChIKeyWRLSWFBKKIRNAD-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.28
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 66140201) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID66140201
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2cncn2C2CC2)c(C)o1
InChIInChI=1S/C15H21N3O/c1-10-6-15(12(3)19-10)11(2)17-8-14-7-16-9-18(14)13-4-5-13/h6-7,9,11,13,17H,4-5,8H2,1-3H3
InChIKeyWRLSWFBKKIRNAD-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375145
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 66162293
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 66163741
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370569
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66140209
1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 66162904
3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 66141599
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113429018
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 66140201) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(C)NCc2cncn2C2CC2)c(C)o1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is WRLSWFBKKIRNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-6-15(12(3)19-10)11(2)17-8-14-7-16-9-18(14)13-4-5-13/h6-7,9,11,13,17H,4-5,8H2,1-3H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 66140201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).