3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine

C16H22N2 — CID 82577007

IUPAC3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(C)c2cc(CC(C)(C)CN)ccc2n1
InChIInChI=1S/C16H22N2/c1-11-7-12(2)18-15-6-5-13(8-14(11)15)9-16(3,4)10-17/h5-8H,9-10,17H2,1-4H3
InChIKeyAVRPYRSOPASYIN-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.38
Rot. Bonds3

About 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine

3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine (PubChem CID 82577007) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine
PubChem CID82577007
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(C)c2cc(CC(C)(C)CN)ccc2n1
InChIInChI=1S/C16H22N2/c1-11-7-12(2)18-15-6-5-13(8-14(11)15)9-16(3,4)10-17/h5-8H,9-10,17H2,1-4H3
InChIKeyAVRPYRSOPASYIN-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-2-methylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577143
2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine
CID 116996491
2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine
CID 116924796
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577016
2-(6-ethyl-2-methylquinolin-4-yl)propan-2-amine
CID 82448244
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
3-(8-fluoro-4-methylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577023
N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine
CID 79660068
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine (CID 82577007) is 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine is Cc1cc(C)c2cc(CC(C)(C)CN)ccc2n1.
What is the InChIKey of 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is AVRPYRSOPASYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-7-12(2)18-15-6-5-13(8-14(11)15)9-16(3,4)10-17/h5-8H,9-10,17H2,1-4H3.
What are the key properties of 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine?
3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82577007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).