1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine

C18H30N2O — CID 103032467

IUPAC1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCNC1CCN(CCC(C)(C)OC)c2ccccc21
InChIInChI=1S/C18H30N2O/c1-5-12-19-16-10-13-20(14-11-18(2,3)21-4)17-9-7-6-8-15(16)17/h6-9,16,19H,5,10-14H2,1-4H3
InChIKeyONECKBOQPGQDGF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.75
Rot. Bonds7

About 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine

1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 103032467) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID103032467
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCNC1CCN(CCC(C)(C)OC)c2ccccc21
InChIInChI=1S/C18H30N2O/c1-5-12-19-16-10-13-20(14-11-18(2,3)21-4)17-9-7-6-8-15(16)17/h6-9,16,19H,5,10-14H2,1-4H3
InChIKeyONECKBOQPGQDGF-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine (CID 103032467) is 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine is CCCNC1CCN(CCC(C)(C)OC)c2ccccc21.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is ONECKBOQPGQDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-12-19-16-10-13-20(14-11-18(2,3)21-4)17-9-7-6-8-15(16)17/h6-9,16,19H,5,10-14H2,1-4H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 103032467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).