6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine

C15H21N3 — CID 89050951

IUPAC6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
SMILESCC(C)(C)CCNc1ccc2ncccc2c1N
InChIInChI=1S/C15H21N3/c1-15(2,3)8-10-18-13-7-6-12-11(14(13)16)5-4-9-17-12/h4-7,9,18H,8,10,16H2,1-3H3
InChIKeyKPDMHUSJBJPKES-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.67
Rot. Bonds3

About 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine

6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine (PubChem CID 89050951) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
PubChem CID89050951
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
SMILESCC(C)(C)CCNc1ccc2ncccc2c1N
InChIInChI=1S/C15H21N3/c1-15(2,3)8-10-18-13-7-6-12-11(14(13)16)5-4-9-17-12/h4-7,9,18H,8,10,16H2,1-3H3
InChIKeyKPDMHUSJBJPKES-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-N-(3,3-dimethylbutyl)quinoline-5,6-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

6-N-ethylquinoline-5,6-diamine
CID 43809532
N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
CID 83202979
2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
CID 62499591
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]quinoline-5,6-diamine
CID 62844494
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine (CID 89050951) is 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine is CC(C)(C)CCNc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine?
The InChIKey is KPDMHUSJBJPKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)8-10-18-13-7-6-12-11(14(13)16)5-4-9-17-12/h4-7,9,18H,8,10,16H2,1-3H3.
What are the key properties of 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine?
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine is sourced from PubChem (CID 89050951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).