6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine

C18H27N3 — CID 82577158

IUPAC6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine
SMILESCc1cc(N(C)C)c2cc(CC(C)(C)CN)cc(C)c2n1
InChIInChI=1S/C18H27N3/c1-12-7-14(10-18(3,4)11-19)9-15-16(21(5)6)8-13(2)20-17(12)15/h7-9H,10-11,19H2,1-6H3
InChIKeyXLOBSOMJXWFEII-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.45
Rot. Bonds4

About 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine

6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine (PubChem CID 82577158) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine.

Molecular Properties

Compound Name6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine
PubChem CID82577158
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine
SMILESCc1cc(N(C)C)c2cc(CC(C)(C)CN)cc(C)c2n1
InChIInChI=1S/C18H27N3/c1-12-7-14(10-18(3,4)11-19)9-15-16(21(5)6)8-13(2)20-17(12)15/h7-9H,10-11,19H2,1-6H3
InChIKeyXLOBSOMJXWFEII-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine?
The IUPAC name of 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine (CID 82577158) is 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine.
What is the SMILES notation for 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine?
The canonical SMILES for 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine is Cc1cc(N(C)C)c2cc(CC(C)(C)CN)cc(C)c2n1.
What is the InChIKey of 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine?
The InChIKey is XLOBSOMJXWFEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12-7-14(10-18(3,4)11-19)9-15-16(21(5)6)8-13(2)20-17(12)15/h7-9H,10-11,19H2,1-6H3.
What are the key properties of 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine?
6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine has a molecular weight of 285.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine is sourced from PubChem (CID 82577158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).