6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline

C18H25N3 — CID 58080818

IUPAC6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline
SMILESC[C@@H]1CNCCCCCN1Cc1ccc2cnccc2c1
InChIInChI=1S/C18H25N3/c1-15-12-19-8-3-2-4-10-21(15)14-16-5-6-18-13-20-9-7-17(18)11-16/h5-7,9,11,13,15,19H,2-4,8,10,12,14H2,1H3/t15-/m1/s1
InChIKeyZWJPVNOXUIQWGF-OAHLLOKOSA-N
MW283.42 g/mol
LogP3.20
Rot. Bonds2

About 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline

6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline (PubChem CID 58080818) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline.

Molecular Properties

Compound Name6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline
PubChem CID58080818
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline
SMILESC[C@@H]1CNCCCCCN1Cc1ccc2cnccc2c1
InChIInChI=1S/C18H25N3/c1-15-12-19-8-3-2-4-10-21(15)14-16-5-6-18-13-20-9-7-17(18)11-16/h5-7,9,11,13,15,19H,2-4,8,10,12,14H2,1H3/t15-/m1/s1
InChIKeyZWJPVNOXUIQWGF-OAHLLOKOSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline?
The IUPAC name of 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline (CID 58080818) is 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline.
What is the SMILES notation for 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline?
The canonical SMILES for 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline is C[C@@H]1CNCCCCCN1Cc1ccc2cnccc2c1.
What is the InChIKey of 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline?
The InChIKey is ZWJPVNOXUIQWGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3/c1-15-12-19-8-3-2-4-10-21(15)14-16-5-6-18-13-20-9-7-17(18)11-16/h5-7,9,11,13,15,19H,2-4,8,10,12,14H2,1H3/t15-/m1/s1.
What are the key properties of 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline?
6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline has a molecular weight of 283.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline is sourced from PubChem (CID 58080818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).