(2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine

C14H15N3 — CID 18715558

IUPAC(2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine
SMILESC[C@H](N)Cn1ccc2ccc3ccncc3c21
InChIInChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
InChIKeyWLQHTTMOCDZDRH-JTQLQIEISA-N
MW225.30 g/mol
LogP2.54
Rot. Bonds2

About (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine

(2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine (PubChem CID 18715558) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine
PubChem CID18715558
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name(2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine
SMILESC[C@H](N)Cn1ccc2ccc3ccncc3c21
InChIInChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
InChIKeyWLQHTTMOCDZDRH-JTQLQIEISA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine?
The IUPAC name of (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine (CID 18715558) is (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine?
The canonical SMILES for (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine is C[C@H](N)Cn1ccc2ccc3ccncc3c21.
What is the InChIKey of (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine?
The InChIKey is WLQHTTMOCDZDRH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine?
(2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine has a molecular weight of 225.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyrrolo[3,2-h]isoquinolin-1-ylpropan-2-amine is sourced from PubChem (CID 18715558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).