N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine

C17H23N3O — CID 62285237

IUPACN-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2c(N2CCOCC2)n1
InChIInChI=1S/C17H23N3O/c1-2-7-18-13-15-12-14-5-3-4-6-16(14)17(19-15)20-8-10-21-11-9-20/h3-6,12,18H,2,7-11,13H2,1H3
InChIKeyOJELKWMEAPUFAO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.57
Rot. Bonds5

About N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine

N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine (PubChem CID 62285237) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine
PubChem CID62285237
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2c(N2CCOCC2)n1
InChIInChI=1S/C17H23N3O/c1-2-7-18-13-15-12-14-5-3-4-6-16(14)17(19-15)20-8-10-21-11-9-20/h3-6,12,18H,2,7-11,13H2,1H3
InChIKeyOJELKWMEAPUFAO-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine (CID 62285237) is N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine is CCCNCc1cc2ccccc2c(N2CCOCC2)n1.
What is the InChIKey of N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine?
The InChIKey is OJELKWMEAPUFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-7-18-13-15-12-14-5-3-4-6-16(14)17(19-15)20-8-10-21-11-9-20/h3-6,12,18H,2,7-11,13H2,1H3.
What are the key properties of N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine?
N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62285237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).