4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine

C15H21N3 — CID 113359417

IUPAC4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
SMILESCN(CC(C)(C)C)c1c(N)cnc2ccccc12
InChIInChI=1S/C15H21N3/c1-15(2,3)10-18(4)14-11-7-5-6-8-13(11)17-9-12(14)16/h5-9H,10,16H2,1-4H3
InChIKeyUPWMCIBIXVYYGK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.30
Rot. Bonds2

About 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine

4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine (PubChem CID 113359417) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
PubChem CID113359417
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
SMILESCN(CC(C)(C)C)c1c(N)cnc2ccccc12
InChIInChI=1S/C15H21N3/c1-15(2,3)10-18(4)14-11-7-5-6-8-13(11)17-9-12(14)16/h5-9H,10,16H2,1-4H3
InChIKeyUPWMCIBIXVYYGK-UHFFFAOYSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 103962883
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
CID 103962894
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine
CID 103963106
4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine
CID 103962715
4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine
CID 103962995
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698
3-[(3-aminoquinolin-4-yl)-methylamino]benzonitrile
CID 103963260

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine (CID 113359417) is 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine is CN(CC(C)(C)C)c1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine?
The InChIKey is UPWMCIBIXVYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)10-18(4)14-11-7-5-6-8-13(11)17-9-12(14)16/h5-9H,10,16H2,1-4H3.
What are the key properties of 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine?
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine is sourced from PubChem (CID 113359417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).