6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine

C16H23N3 — CID 55001292

IUPAC6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
SMILESCC(C)CC(C)N(C)c1ccc2ncccc2c1N
InChIInChI=1S/C16H23N3/c1-11(2)10-12(3)19(4)15-8-7-14-13(16(15)17)6-5-9-18-14/h5-9,11-12H,10,17H2,1-4H3
InChIKeyHICVHJAVKGTGAE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.69
Rot. Bonds4

About 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine

6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine (PubChem CID 55001292) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
PubChem CID55001292
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
SMILESCC(C)CC(C)N(C)c1ccc2ncccc2c1N
InChIInChI=1S/C16H23N3/c1-11(2)10-12(3)19(4)15-8-7-14-13(16(15)17)6-5-9-18-14/h5-9,11-12H,10,17H2,1-4H3
InChIKeyHICVHJAVKGTGAE-UHFFFAOYSA-N
XLogP3.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
6-N-methyl-6-N-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
6-N-methoxy-6-N-methylquinoline-5,6-diamine
CID 43809762
6-(2-methylpropylsulfanyl)quinolin-5-amine
CID 43809927
6-N-ethyl-6-N-phenylquinoline-5,6-diamine
CID 43809497
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
CID 43809516
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
CID 105414166
6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
CID 63928132
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
CID 62001678
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine (CID 55001292) is 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine is CC(C)CC(C)N(C)c1ccc2ncccc2c1N.
What is the InChIKey of 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine?
The InChIKey is HICVHJAVKGTGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)10-12(3)19(4)15-8-7-14-13(16(15)17)6-5-9-18-14/h5-9,11-12H,10,17H2,1-4H3.
What are the key properties of 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine?
6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine has a molecular weight of 257.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine is sourced from PubChem (CID 55001292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).