8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine

C15H21N3O — CID 81059066

IUPAC8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
SMILESCC(C)OCCN(C)c1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3O/c1-11(2)19-10-9-18(3)14-7-6-13(16)12-5-4-8-17-15(12)14/h4-8,11H,9-10,16H2,1-3H3
InChIKeyRNGCDRYURIJSSQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds5

About 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine

8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine (PubChem CID 81059066) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
PubChem CID81059066
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
SMILESCC(C)OCCN(C)c1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3O/c1-11(2)19-10-9-18(3)14-7-6-13(16)12-5-4-8-17-15(12)14/h4-8,11H,9-10,16H2,1-3H3
InChIKeyRNGCDRYURIJSSQ-UHFFFAOYSA-N
XLogP2.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-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-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
CID 112656769
5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
CID 107197791
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine
CID 79477632
8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 43450087
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
CID 61450348
2-N-methyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,5-diamine
CID 81067328
3-N-methyl-3-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
CID 103768529

Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine (CID 81059066) is 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine is CC(C)OCCN(C)c1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine?
The InChIKey is RNGCDRYURIJSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)19-10-9-18(3)14-7-6-13(16)12-5-4-8-17-15(12)14/h4-8,11H,9-10,16H2,1-3H3.
What are the key properties of 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine?
8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine is sourced from PubChem (CID 81059066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).