1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine

C12H17NO — CID 167466495

IUPAC1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine
SMILESC=Cc1oc(C(N)CC)c(C)c1C=C
InChIInChI=1S/C12H17NO/c1-5-9-8(4)12(10(13)6-2)14-11(9)7-3/h5,7,10H,1,3,6,13H2,2,4H3
InChIKeyLPUNUUNCYAGCBH-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.28
Rot. Bonds4

About 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine

1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine (PubChem CID 167466495) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine
PubChem CID167466495
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine
SMILESC=Cc1oc(C(N)CC)c(C)c1C=C
InChIInChI=1S/C12H17NO/c1-5-9-8(4)12(10(13)6-2)14-11(9)7-3/h5,7,10H,1,3,6,13H2,2,4H3
InChIKeyLPUNUUNCYAGCBH-UHFFFAOYSA-N
XLogP3.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine?
The IUPAC name of 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine (CID 167466495) is 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine.
What is the SMILES notation for 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine?
The canonical SMILES for 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine is C=Cc1oc(C(N)CC)c(C)c1C=C.
What is the InChIKey of 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine?
The InChIKey is LPUNUUNCYAGCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-9-8(4)12(10(13)6-2)14-11(9)7-3/h5,7,10H,1,3,6,13H2,2,4H3.
What are the key properties of 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine?
1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine is sourced from PubChem (CID 167466495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).