4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine

C17H28N2O — CID 106675695

IUPAC4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CC(C)Cc2ccccc21
InChIInChI=1S/C17H28N2O/c1-13-9-14-7-5-6-8-16(14)19(12-13)15(11-18)10-17(2,3)20-4/h5-8,13,15H,9-12,18H2,1-4H3
InChIKeyMEDANSBLXUVBAI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds5

About 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine

4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine (PubChem CID 106675695) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
PubChem CID106675695
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CC(C)Cc2ccccc21
InChIInChI=1S/C17H28N2O/c1-13-9-14-7-5-6-8-16(14)19(12-13)15(11-18)10-17(2,3)20-4/h5-8,13,15H,9-12,18H2,1-4H3
InChIKeyMEDANSBLXUVBAI-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine (CID 106675695) is 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine is COC(C)(C)CC(CN)N1CC(C)Cc2ccccc21.
What is the InChIKey of 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine?
The InChIKey is MEDANSBLXUVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-9-14-7-5-6-8-16(14)19(12-13)15(11-18)10-17(2,3)20-4/h5-8,13,15H,9-12,18H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine?
4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine is sourced from PubChem (CID 106675695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).