N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

C13H17N3O — CID 66162293

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCc1cncn1C1CC1)c1ccco1
InChIInChI=1S/C13H17N3O/c1-10(13-3-2-6-17-13)15-8-12-7-14-9-16(12)11-4-5-11/h2-3,6-7,9-11,15H,4-5,8H2,1H3
InChIKeyJHOKHSYPJIGSHM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.66
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 66162293) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID66162293
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCc1cncn1C1CC1)c1ccco1
InChIInChI=1S/C13H17N3O/c1-10(13-3-2-6-17-13)15-8-12-7-14-9-16(12)11-4-5-11/h2-3,6-7,9-11,15H,4-5,8H2,1H3
InChIKeyJHOKHSYPJIGSHM-UHFFFAOYSA-N
XLogP2.66
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375145
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 66163741
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66140201
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370569
1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 66162904
1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 66141196
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66140209
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (CID 66162293) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is CC(NCc1cncn1C1CC1)c1ccco1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is JHOKHSYPJIGSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(13-3-2-6-17-13)15-8-12-7-14-9-16(12)11-4-5-11/h2-3,6-7,9-11,15H,4-5,8H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.66, 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-(furan-2-yl)ethanamine is sourced from PubChem (CID 66162293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).