6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine

C16H22N2 — CID 55225443

IUPAC6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine
SMILESCCNc1nc2ccc(C(C)CC)cc2cc1C
InChIInChI=1S/C16H22N2/c1-5-11(3)13-7-8-15-14(10-13)9-12(4)16(18-15)17-6-2/h7-11H,5-6H2,1-4H3,(H,17,18)
InChIKeyVJQNMADXHYQHGB-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.49
Rot. Bonds4

About 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine

6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine (PubChem CID 55225443) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine.

Molecular Properties

Compound Name6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine
PubChem CID55225443
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine
SMILESCCNc1nc2ccc(C(C)CC)cc2cc1C
InChIInChI=1S/C16H22N2/c1-5-11(3)13-7-8-15-14(10-13)9-12(4)16(18-15)17-6-2/h7-11H,5-6H2,1-4H3,(H,17,18)
InChIKeyVJQNMADXHYQHGB-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-3-methyl-N-propylquinolin-2-amine
CID 63526288
6-butan-2-yl-2-ethyl-3-methylquinoline
CID 11160508
N-ethyl-3,6-di(propan-2-yl)quinolin-2-amine
CID 63525945
N-ethyl-3-methyl-6-piperidin-1-ylquinolin-2-amine
CID 63232032
2-bromo-6-butan-2-ylquinoline
CID 102941166
6-butan-2-yl-2-chloro-3-(chloromethyl)quinoline
CID 63531222
6-propan-2-yl-N,3-dipropylquinolin-2-amine
CID 63525770
N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine
CID 63232227
6-butan-2-yl-N,2,3-trimethylquinolin-4-amine
CID 55196536
7-chloro-N-ethyl-6-methyl-3-propan-2-ylquinolin-2-amine
CID 104722127
6-butan-2-yl-N,2-dimethylquinolin-4-amine
CID 62195936
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine?
The IUPAC name of 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine (CID 55225443) is 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine.
What is the SMILES notation for 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine?
The canonical SMILES for 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine is CCNc1nc2ccc(C(C)CC)cc2cc1C.
What is the InChIKey of 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine?
The InChIKey is VJQNMADXHYQHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-11(3)13-7-8-15-14(10-13)9-12(4)16(18-15)17-6-2/h7-11H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine?
6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine has a molecular weight of 242.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-N-ethyl-3-methylquinolin-2-amine is sourced from PubChem (CID 55225443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).