N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

C14H21N3O — CID 62441965

IUPACN-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1ncn(Cc2ccc(CNC(C)C)o2)c1C
InChIInChI=1S/C14H21N3O/c1-10(2)15-7-13-5-6-14(18-13)8-17-9-16-11(3)12(17)4/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyBZSGGPSXARGKFE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds5

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

N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62441965) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62441965
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1ncn(Cc2ccc(CNC(C)C)o2)c1C
InChIInChI=1S/C14H21N3O/c1-10(2)15-7-13-5-6-14(18-13)8-17-9-16-11(3)12(17)4/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyBZSGGPSXARGKFE-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 62441965) is N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is Cc1ncn(Cc2ccc(CNC(C)C)o2)c1C.
What is the InChIKey of N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is BZSGGPSXARGKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)15-7-13-5-6-14(18-13)8-17-9-16-11(3)12(17)4/h5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62441965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).