N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine

C12H17N3O — CID 106887317

IUPACN-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine
SMILESCCCn1ccnc1-c1ccc(CNC)o1
InChIInChI=1S/C12H17N3O/c1-3-7-15-8-6-14-12(15)11-5-4-10(16-11)9-13-2/h4-6,8,13H,3,7,9H2,1-2H3
InChIKeyCWHVCFFEZWSLNF-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.27
Rot. Bonds5

About N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine

N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine (PubChem CID 106887317) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine
PubChem CID106887317
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine
SMILESCCCn1ccnc1-c1ccc(CNC)o1
InChIInChI=1S/C12H17N3O/c1-3-7-15-8-6-14-12(15)11-5-4-10(16-11)9-13-2/h4-6,8,13H,3,7,9H2,1-2H3
InChIKeyCWHVCFFEZWSLNF-UHFFFAOYSA-N
XLogP2.27
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-2-(5-propylfuran-2-yl)imidazole
CID 56742593
2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
CID 56750457
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 66159923
N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine
CID 106887299
1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
CID 106888835
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole
CID 56918417
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide
CID 70731499
N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63974370
5-methyl-2-(1-propylimidazol-2-yl)aniline
CID 82766219
2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole
CID 56864565

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine (CID 106887317) is N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine is CCCn1ccnc1-c1ccc(CNC)o1.
What is the InChIKey of N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine?
The InChIKey is CWHVCFFEZWSLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-7-15-8-6-14-12(15)11-5-4-10(16-11)9-13-2/h4-6,8,13H,3,7,9H2,1-2H3.
What are the key properties of N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine?
N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106887317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).