1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine

C16H24N2O — CID 116520575

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCC1(C)CCC(CN2CCC(N)c3ccccc32)O1
InChIInChI=1S/C16H24N2O/c1-16(2)9-7-12(19-16)11-18-10-8-14(17)13-5-3-4-6-15(13)18/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyFJMWIIDGSPPGHG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds2

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine

1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 116520575) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
PubChem CID116520575
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCC1(C)CCC(CN2CCC(N)c3ccccc32)O1
InChIInChI=1S/C16H24N2O/c1-16(2)9-7-12(19-16)11-18-10-8-14(17)13-5-3-4-6-15(13)18/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyFJMWIIDGSPPGHG-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine (CID 116520575) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine is CC1(C)CCC(CN2CCC(N)c3ccccc32)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is FJMWIIDGSPPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)9-7-12(19-16)11-18-10-8-14(17)13-5-3-4-6-15(13)18/h3-6,12,14H,7-11,17H2,1-2H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 116520575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).