N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine

C17H20N2S — CID 107555459

IUPACN-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CN(Cc1ccc(CNC3CC3)s1)C2
InChIInChI=1S/C17H20N2S/c1-2-4-14-11-19(10-13(14)3-1)12-17-8-7-16(20-17)9-18-15-5-6-15/h1-4,7-8,15,18H,5-6,9-12H2
InChIKeyULYFNZAWVMMZIO-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.52
Rot. Bonds5

About N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107555459) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107555459
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CN(Cc1ccc(CNC3CC3)s1)C2
InChIInChI=1S/C17H20N2S/c1-2-4-14-11-19(10-13(14)3-1)12-17-8-7-16(20-17)9-18-15-5-6-15/h1-4,7-8,15,18H,5-6,9-12H2
InChIKeyULYFNZAWVMMZIO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine (CID 107555459) is N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine is c1ccc2c(c1)CN(Cc1ccc(CNC3CC3)s1)C2.
What is the InChIKey of N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is ULYFNZAWVMMZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-4-14-11-19(10-13(14)3-1)12-17-8-7-16(20-17)9-18-15-5-6-15/h1-4,7-8,15,18H,5-6,9-12H2.
What are the key properties of N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 284.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107555459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).