1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine

C15H20N4 — CID 82570609

IUPAC1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine
SMILESCc1ccc(N)c2ccnc(N3CCCNCC3)c12
InChIInChI=1S/C15H20N4/c1-11-3-4-13(16)12-5-7-18-15(14(11)12)19-9-2-6-17-8-10-19/h3-5,7,17H,2,6,8-10,16H2,1H3
InChIKeyMOXDSVDPJNNMBZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds1

About 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine

1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine (PubChem CID 82570609) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine
PubChem CID82570609
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine
SMILESCc1ccc(N)c2ccnc(N3CCCNCC3)c12
InChIInChI=1S/C15H20N4/c1-11-3-4-13(16)12-5-7-18-15(14(11)12)19-9-2-6-17-8-10-19/h3-5,7,17H,2,6,8-10,16H2,1H3
InChIKeyMOXDSVDPJNNMBZ-UHFFFAOYSA-N
XLogP1.93
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 83850463
5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine
CID 82569993
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 170875415
1-(1,4-diazepan-1-yl)isoquinoline-5-carbonitrile
CID 82570971
5,8-dimethyl-4-piperazin-1-ylquinoline
CID 43840516
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
4-(1,4-diazepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18526382

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine?
The IUPAC name of 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine (CID 82570609) is 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine is Cc1ccc(N)c2ccnc(N3CCCNCC3)c12.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine?
The InChIKey is MOXDSVDPJNNMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-3-4-13(16)12-5-7-18-15(14(11)12)19-9-2-6-17-8-10-19/h3-5,7,17H,2,6,8-10,16H2,1H3.
What are the key properties of 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine?
1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine has a molecular weight of 256.35 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine is sourced from PubChem (CID 82570609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).