3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine

C15H20BrN3 — CID 106949135

IUPAC3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
SMILESCC(C)CCN(C)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C15H20BrN3/c1-10(2)6-7-19(3)14-5-4-13(17)12-8-11(16)9-18-15(12)14/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeyLSPUGLXIZKWAPH-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.06
Rot. Bonds4

About 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine

3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine (PubChem CID 106949135) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
PubChem CID106949135
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
SMILESCC(C)CCN(C)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C15H20BrN3/c1-10(2)6-7-19(3)14-5-4-13(17)12-8-11(16)9-18-15(12)14/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeyLSPUGLXIZKWAPH-UHFFFAOYSA-N
XLogP4.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.06
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

3-bromo-8-N-cyclopropyl-8-N-(2-methylpropyl)quinoline-5,8-diamine
CID 106949218
3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine
CID 106949059
5-N,3-dimethyl-5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 102713155
3-bromo-8-N-methyl-8-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 106949237
3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine
CID 106949132
3-bromo-8-N-(cyclopropylmethyl)-8-N-propan-2-ylquinoline-5,8-diamine
CID 106949222
3-bromo-8-N-methyl-8-N-(oxan-3-ylmethyl)quinoline-5,8-diamine
CID 106949377
3-bromo-8-N-pentan-2-ylquinoline-5,8-diamine
CID 106948910
2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
CID 106949605
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
3-bromo-8-N-(cyclopropylmethyl)-8-N-propylquinoline-5,8-diamine
CID 106949079
3-bromo-8-N-[2-(3-methylbutoxy)ethyl]quinoline-5,8-diamine
CID 106949268

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine (CID 106949135) is 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine is CC(C)CCN(C)c1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine?
The InChIKey is LSPUGLXIZKWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)6-7-19(3)14-5-4-13(17)12-8-11(16)9-18-15(12)14/h4-5,8-10H,6-7,17H2,1-3H3.
What are the key properties of 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine?
3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine has a molecular weight of 322.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine is sourced from PubChem (CID 106949135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).