N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine

C14H21N3O — CID 43773884

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C14H21N3O/c1-10(2)11(3)16-13(12-6-5-9-18-12)14-15-7-8-17(14)4/h5-11,13,16H,1-4H3
InChIKeyWUOVOKGXAOEWFP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.74
Rot. Bonds5

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine (PubChem CID 43773884) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
PubChem CID43773884
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C14H21N3O/c1-10(2)11(3)16-13(12-6-5-9-18-12)14-15-7-8-17(14)4/h5-11,13,16H,1-4H3
InChIKeyWUOVOKGXAOEWFP-UHFFFAOYSA-N
XLogP2.74
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
CID 61464680
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 61246713
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
CID 43781268
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
CID 43776859
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43780865
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine (CID 43773884) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine is CC(C)C(C)NC(c1ccco1)c1nccn1C.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine?
The InChIKey is WUOVOKGXAOEWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)11(3)16-13(12-6-5-9-18-12)14-15-7-8-17(14)4/h5-11,13,16H,1-4H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43773884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).