4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine

C14H17N3 — CID 103000945

IUPAC4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
SMILESCC1(C)CC1Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C14H17N3/c1-14(2)8-13(14)17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7,13H,8,15H2,1-2H3,(H,16,17)
InChIKeyVINLJEPYXSFBNI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.03
Rot. Bonds2

About 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine

4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine (PubChem CID 103000945) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
PubChem CID103000945
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
SMILESCC1(C)CC1Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C14H17N3/c1-14(2)8-13(14)17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7,13H,8,15H2,1-2H3,(H,16,17)
InChIKeyVINLJEPYXSFBNI-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine 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 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine (CID 103000945) is 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine is CC1(C)CC1Nc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine?
The InChIKey is VINLJEPYXSFBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-14(2)8-13(14)17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7,13H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine?
4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine is sourced from PubChem (CID 103000945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).