3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine

C16H22N2 — CID 81231464

IUPAC3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
SMILESCc1ccc2cc(C(N)CC(C)(C)C)ccc2n1
InChIInChI=1S/C16H22N2/c1-11-5-6-13-9-12(7-8-15(13)18-11)14(17)10-16(2,3)4/h5-9,14H,10,17H2,1-4H3
InChIKeyXXFVESNKHKXQRL-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.98
Rot. Bonds2

About 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine

3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine (PubChem CID 81231464) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
PubChem CID81231464
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
SMILESCc1ccc2cc(C(N)CC(C)(C)C)ccc2n1
InChIInChI=1S/C16H22N2/c1-11-5-6-13-9-12(7-8-15(13)18-11)14(17)10-16(2,3)4/h5-9,14H,10,17H2,1-4H3
InChIKeyXXFVESNKHKXQRL-UHFFFAOYSA-N
XLogP3.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742
1-(2-methylquinolin-6-yl)-2-pyridin-4-ylethanamine
CID 81231601
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147995
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
[3-methoxy-3-methyl-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 103025433
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172248
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
[2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine
CID 105327259
N,2,2-trimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105020769

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine (CID 81231464) is 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine is Cc1ccc2cc(C(N)CC(C)(C)C)ccc2n1.
What is the InChIKey of 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine?
The InChIKey is XXFVESNKHKXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-5-6-13-9-12(7-8-15(13)18-11)14(17)10-16(2,3)4/h5-9,14H,10,17H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine?
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine is sourced from PubChem (CID 81231464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).