N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine

C11H15NO — CID 106886992

IUPACN-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine
SMILESc1cc(C2CC2)oc1CNC1CC1
InChIInChI=1S/C11H15NO/c1-2-8(1)11-6-5-10(13-11)7-12-9-3-4-9/h5-6,8-9,12H,1-4,7H2
InChIKeyUIJGUBNHTUSZIE-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.41
Rot. Bonds4

About N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine

N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine (PubChem CID 106886992) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine
PubChem CID106886992
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine
SMILESc1cc(C2CC2)oc1CNC1CC1
InChIInChI=1S/C11H15NO/c1-2-8(1)11-6-5-10(13-11)7-12-9-3-4-9/h5-6,8-9,12H,1-4,7H2
InChIKeyUIJGUBNHTUSZIE-UHFFFAOYSA-N
XLogP2.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine (CID 106886992) is N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine is c1cc(C2CC2)oc1CNC1CC1.
What is the InChIKey of N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine?
The InChIKey is UIJGUBNHTUSZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-8(1)11-6-5-10(13-11)7-12-9-3-4-9/h5-6,8-9,12H,1-4,7H2.
What are the key properties of N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine?
N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine has a molecular weight of 177.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 106886992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).