1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine

C15H23N3O — CID 143829328

IUPAC1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
SMILESCOC1=CC2=CC=CNC2C(NCCCC(C)N)=C1
InChIInChI=1S/C15H23N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,15,17-18H,3,5,7,16H2,1-2H3
InChIKeyUNIBDLFFMNYNPD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.54
Rot. Bonds6

About 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine

1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine (PubChem CID 143829328) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
PubChem CID143829328
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
SMILESCOC1=CC2=CC=CNC2C(NCCCC(C)N)=C1
InChIInChI=1S/C15H23N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,15,17-18H,3,5,7,16H2,1-2H3
InChIKeyUNIBDLFFMNYNPD-UHFFFAOYSA-N
XLogP1.54
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
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 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine (CID 143829328) is 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine is COC1=CC2=CC=CNC2C(NCCCC(C)N)=C1.
What is the InChIKey of 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is UNIBDLFFMNYNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,15,17-18H,3,5,7,16H2,1-2H3.
What are the key properties of 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine?
1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 143829328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).