2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine

C18H26N2O — CID 116725636

IUPAC2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine
SMILESCCOC(C(NC)c1ccc2ncccc2c1)C(C)(C)C
InChIInChI=1S/C18H26N2O/c1-6-21-17(18(2,3)4)16(19-5)14-9-10-15-13(12-14)8-7-11-20-15/h7-12,16-17,19H,6H2,1-5H3
InChIKeyBWIBSXJZIGWNTJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.95
Rot. Bonds5

About 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine

2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine (PubChem CID 116725636) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine
PubChem CID116725636
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine
SMILESCCOC(C(NC)c1ccc2ncccc2c1)C(C)(C)C
InChIInChI=1S/C18H26N2O/c1-6-21-17(18(2,3)4)16(19-5)14-9-10-15-13(12-14)8-7-11-20-15/h7-12,16-17,19H,6H2,1-5H3
InChIKeyBWIBSXJZIGWNTJ-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116721238
2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116720092
2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine
CID 81231645
1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 116725660
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
2-ethoxy-N-ethyl-2-methyl-1-quinolin-6-ylpropan-1-amine
CID 116726919
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075
(2-ethyl-1-quinolin-6-ylbutyl)hydrazine
CID 105218482
2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol
CID 116713427
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine?
The IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine (CID 116725636) is 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine?
The canonical SMILES for 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine is CCOC(C(NC)c1ccc2ncccc2c1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine?
The InChIKey is BWIBSXJZIGWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-21-17(18(2,3)4)16(19-5)14-9-10-15-13(12-14)8-7-11-20-15/h7-12,16-17,19H,6H2,1-5H3.
What are the key properties of 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine?
2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine is sourced from PubChem (CID 116725636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).