5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine

C13H15N3 — CID 62397116

IUPAC5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine
SMILESCC1CC1Nc1ccc(N)c2cnccc12
InChIInChI=1S/C13H15N3/c1-8-6-13(8)16-12-3-2-11(14)10-7-15-5-4-9(10)12/h2-5,7-8,13,16H,6,14H2,1H3
InChIKeyOHJQSZVKXGODJM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.64
Rot. Bonds2

About 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine

5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine (PubChem CID 62397116) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine
PubChem CID62397116
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine
SMILESCC1CC1Nc1ccc(N)c2cnccc12
InChIInChI=1S/C13H15N3/c1-8-6-13(8)16-12-3-2-11(14)10-7-15-5-4-9(10)12/h2-5,7-8,13,16H,6,14H2,1H3
InChIKeyOHJQSZVKXGODJM-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine 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-N-(3-methylcyclobutyl)isoquinoline-5,8-diamine
CID 103139155
5-N-cycloheptylisoquinoline-5,8-diamine
CID 43448815
[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 106358956
2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol
CID 103138099
5-N-(3-ethylcyclohexyl)isoquinoline-5,8-diamine
CID 64748413
5-N-(2,2-dimethylcyclohexyl)isoquinoline-5,8-diamine
CID 79861810
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
1-[[(8-aminoisoquinolin-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115683
5-N-butylisoquinoline-5,8-diamine
CID 43448702
5-N-(3,3-dimethylbutan-2-yl)isoquinoline-5,8-diamine
CID 104827477
4-[(2-methylcyclopropyl)amino]pyridine-3-carbonitrile
CID 130634869
5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 43448707

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine?
The IUPAC name of 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine (CID 62397116) is 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine?
The canonical SMILES for 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine is CC1CC1Nc1ccc(N)c2cnccc12.
What is the InChIKey of 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine?
The InChIKey is OHJQSZVKXGODJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-8-6-13(8)16-12-3-2-11(14)10-7-15-5-4-9(10)12/h2-5,7-8,13,16H,6,14H2,1H3.
What are the key properties of 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine?
5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 62397116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).