2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine

C13H21N3 — CID 82581888

IUPAC2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCc1cc(N)c2c(c1)CN(CCCN)CC2
InChIInChI=1S/C13H21N3/c1-10-7-11-9-16(5-2-4-14)6-3-12(11)13(15)8-10/h7-8H,2-6,9,14-15H2,1H3
InChIKeyFHZDQFCQKUMEFZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.28
Rot. Bonds3

About 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine

2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 82581888) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID82581888
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCc1cc(N)c2c(c1)CN(CCCN)CC2
InChIInChI=1S/C13H21N3/c1-10-7-11-9-16(5-2-4-14)6-3-12(11)13(15)8-10/h7-8H,2-6,9,14-15H2,1H3
InChIKeyFHZDQFCQKUMEFZ-UHFFFAOYSA-N
XLogP1.28
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine (CID 82581888) is 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine is Cc1cc(N)c2c(c1)CN(CCCN)CC2.
What is the InChIKey of 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is FHZDQFCQKUMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-7-11-9-16(5-2-4-14)6-3-12(11)13(15)8-10/h7-8H,2-6,9,14-15H2,1H3.
What are the key properties of 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 219.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 82581888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).