N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

C16H23N3O2 — CID 51495228

IUPACN-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCc1ccc(CN(Cc2cncn2C)C[C@H]2CCCO2)o1
InChIInChI=1S/C16H23N3O2/c1-13-5-6-16(21-13)11-19(10-15-4-3-7-20-15)9-14-8-17-12-18(14)2/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyJWIFJDUYCKLJNB-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 51495228) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID51495228
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCc1ccc(CN(Cc2cncn2C)C[C@H]2CCCO2)o1
InChIInChI=1S/C16H23N3O2/c1-13-5-6-16(21-13)11-19(10-15-4-3-7-20-15)9-14-8-17-12-18(14)2/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyJWIFJDUYCKLJNB-OAHLLOKOSA-N
XLogP2.50
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine with MolForge

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Related Compounds

N-[(2-ethylpyrimidin-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962857
1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one
CID 51497302
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 164631836
2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 24713986
N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818482
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98628192
(2S)-1-[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 129419545
(2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161955
N-methyl-1-(5-methylfuran-2-yl)-N-[[5-methylsulfanyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]methanamine
CID 26404397
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497058
2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 134707313

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 51495228) is N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is Cc1ccc(CN(Cc2cncn2C)C[C@H]2CCCO2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is JWIFJDUYCKLJNB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-5-6-16(21-13)11-19(10-15-4-3-7-20-15)9-14-8-17-12-18(14)2/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 51495228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).