N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine

C15H23N3O — CID 65152000

IUPACN-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1c(C)oc(C)c1C
InChIInChI=1S/C15H23N3O/c1-6-8-18-9-7-17-15(18)14(16-5)13-10(2)11(3)19-12(13)4/h7,9,14,16H,6,8H2,1-5H3
InChIKeyDENBNBBWMMFIKI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.12
Rot. Bonds5

About N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine

N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65152000) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65152000
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1c(C)oc(C)c1C
InChIInChI=1S/C15H23N3O/c1-6-8-18-9-7-17-15(18)14(16-5)13-10(2)11(3)19-12(13)4/h7,9,14,16H,6,8H2,1-5H3
InChIKeyDENBNBBWMMFIKI-UHFFFAOYSA-N
XLogP3.12
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 61319379
N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105148825
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 79781127
N-methyl-1-(1-propylimidazol-2-yl)-1-pyridin-3-ylmethanamine
CID 61318146
N-methyl-1-(4-methylsulfanylphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 79206742
N-methyl-1-(1-propylimidazol-2-yl)-1-(thiadiazol-5-yl)methanamine
CID 65215167
1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61317086
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115858110
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 106791871
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317535
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65152000) is N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine is CCCn1ccnc1C(NC)c1c(C)oc(C)c1C.
What is the InChIKey of N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is DENBNBBWMMFIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-6-8-18-9-7-17-15(18)14(16-5)13-10(2)11(3)19-12(13)4/h7,9,14,16H,6,8H2,1-5H3.
What are the key properties of N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65152000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).