2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine

C18H27N3 — CID 63483860

IUPAC2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine
SMILESCCN(CC)c1ccc2nc(C(C)(C)C)cc(NC)c2c1
InChIInChI=1S/C18H27N3/c1-7-21(8-2)13-9-10-15-14(11-13)16(19-6)12-17(20-15)18(3,4)5/h9-12H,7-8H2,1-6H3,(H,19,20)
InChIKeyUBBCSDCQOBDYEC-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.42
Rot. Bonds4

About 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine

2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine (PubChem CID 63483860) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine
PubChem CID63483860
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine
SMILESCCN(CC)c1ccc2nc(C(C)(C)C)cc(NC)c2c1
InChIInChI=1S/C18H27N3/c1-7-21(8-2)13-9-10-15-14(11-13)16(19-6)12-17(20-15)18(3,4)5/h9-12H,7-8H2,1-6H3,(H,19,20)
InChIKeyUBBCSDCQOBDYEC-UHFFFAOYSA-N
XLogP4.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N,6-N-diethyl-4-N-methyl-2-propylquinoline-4,6-diamine
CID 63483858
6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine
CID 63180515
2-cyclopropyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine
CID 63484579
2-tert-butyl-4-N-methylquinoline-4,6-diamine
CID 112655262
6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
CID 63483498
N,N,2-triethyl-4-hydrazinylquinolin-6-amine
CID 63180817
6-bromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 63481640
6-N,6-N-diethylquinazoline-2,4,6-triamine
CID 44531790
2-tert-butyl-6-ethyl-N-propylquinolin-4-amine
CID 63479725
2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 103996756
1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
CID 142930893
2-tert-butyl-6-methoxy-N-propylquinolin-4-amine
CID 63481474

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine (CID 63483860) is 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine is CCN(CC)c1ccc2nc(C(C)(C)C)cc(NC)c2c1.
What is the InChIKey of 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine?
The InChIKey is UBBCSDCQOBDYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-21(8-2)13-9-10-15-14(11-13)16(19-6)12-17(20-15)18(3,4)5/h9-12H,7-8H2,1-6H3,(H,19,20).
What are the key properties of 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine?
2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine has a molecular weight of 285.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine is sourced from PubChem (CID 63483860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).