6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine

C13H17N3 — CID 43809487

IUPAC6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
SMILESCC(C)N(C)c1ccc2ncccc2c1N
InChIInChI=1S/C13H17N3/c1-9(2)16(3)12-7-6-11-10(13(12)14)5-4-8-15-11/h4-9H,14H2,1-3H3
InChIKeyRZOORUHZNXUZLH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds2

About 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine

6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine (PubChem CID 43809487) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
PubChem CID43809487
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
SMILESCC(C)N(C)c1ccc2ncccc2c1N
InChIInChI=1S/C13H17N3/c1-9(2)16(3)12-7-6-11-10(13(12)14)5-4-8-15-11/h4-9H,14H2,1-3H3
InChIKeyRZOORUHZNXUZLH-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.66
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-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
CID 55001292
6-N-methoxy-6-N-methylquinoline-5,6-diamine
CID 43809762
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
CID 62001678
6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
CID 43809516
6-(2-methylpropylsulfanyl)quinolin-5-amine
CID 43809927
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
6-N-ethyl-6-N-phenylquinoline-5,6-diamine
CID 43809497
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

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine (CID 43809487) is 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine is CC(C)N(C)c1ccc2ncccc2c1N.
What is the InChIKey of 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine?
The InChIKey is RZOORUHZNXUZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)16(3)12-7-6-11-10(13(12)14)5-4-8-15-11/h4-9H,14H2,1-3H3.
What are the key properties of 6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine?
6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.66, 2 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-propan-2-ylquinoline-5,6-diamine is sourced from PubChem (CID 43809487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).