N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine

C17H16N2O — CID 43808705

IUPACN-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine
SMILESc1cc(-c2ccc(CNC3CC3)o2)c2ccncc2c1
InChIInChI=1S/C17H16N2O/c1-2-12-10-18-9-8-15(12)16(3-1)17-7-6-14(20-17)11-19-13-4-5-13/h1-3,6-10,13,19H,4-5,11H2
InChIKeyDZBTVKPQCMTFPI-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.75
Rot. Bonds4

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

N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine (PubChem CID 43808705) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine
PubChem CID43808705
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine
SMILESc1cc(-c2ccc(CNC3CC3)o2)c2ccncc2c1
InChIInChI=1S/C17H16N2O/c1-2-12-10-18-9-8-15(12)16(3-1)17-7-6-14(20-17)11-19-13-4-5-13/h1-3,6-10,13,19H,4-5,11H2
InChIKeyDZBTVKPQCMTFPI-UHFFFAOYSA-N
XLogP3.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine (CID 43808705) is N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine is c1cc(-c2ccc(CNC3CC3)o2)c2ccncc2c1.
What is the InChIKey of N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine?
The InChIKey is DZBTVKPQCMTFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-12-10-18-9-8-15(12)16(3-1)17-7-6-14(20-17)11-19-13-4-5-13/h1-3,6-10,13,19H,4-5,11H2.
What are the key properties of N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine?
N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine has a molecular weight of 264.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43808705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).