1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

C15H23N3O — CID 105049859

IUPAC1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1coc(C)c1
InChIInChI=1S/C15H23N3O/c1-4-7-16-14(13-10-12(2)19-11-13)5-6-15-17-8-9-18(15)3/h8-11,14,16H,4-7H2,1-3H3
InChIKeyHBTHLHACRKVBSD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds7

About 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (PubChem CID 105049859) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
PubChem CID105049859
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1coc(C)c1
InChIInChI=1S/C15H23N3O/c1-4-7-16-14(13-10-12(2)19-11-13)5-6-15-17-8-9-18(15)3/h8-11,14,16H,4-7H2,1-3H3
InChIKeyHBTHLHACRKVBSD-UHFFFAOYSA-N
XLogP3.00
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011259
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105187793
1-(5-methylfuran-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030136
3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
CID 114530679
4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
CID 79761932
1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530197
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 103444761
1,1,1-trifluoro-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 105049992
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 105000320
4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 105054890

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (CID 105049859) is 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1nccn1C)c1coc(C)c1.
What is the InChIKey of 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is HBTHLHACRKVBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-7-16-14(13-10-12(2)19-11-13)5-6-15-17-8-9-18(15)3/h8-11,14,16H,4-7H2,1-3H3.
What are the key properties of 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105049859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).