[3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

C18H28N2O — CID 79911224

IUPAC[3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCCc3ccccc32)C(C)(C)O1
InChIInChI=1S/C18H28N2O/c1-16(2)12-18(13-19,17(3,4)21-16)20-11-7-9-14-8-5-6-10-15(14)20/h5-6,8,10H,7,9,11-13,19H2,1-4H3
InChIKeySZCJTBYWRGWJFI-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.11
Rot. Bonds2

About [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

[3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (PubChem CID 79911224) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
PubChem CID79911224
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name[3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCCc3ccccc32)C(C)(C)O1
InChIInChI=1S/C18H28N2O/c1-16(2)12-18(13-19,17(3,4)21-16)20-11-7-9-14-8-5-6-10-15(14)20/h5-6,8,10H,7,9,11-13,19H2,1-4H3
InChIKeySZCJTBYWRGWJFI-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The IUPAC name of [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (CID 79911224) is [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is CC1(C)CC(CN)(N2CCCc3ccccc32)C(C)(C)O1.
What is the InChIKey of [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The InChIKey is SZCJTBYWRGWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-16(2)12-18(13-19,17(3,4)21-16)20-11-7-9-14-8-5-6-10-15(14)20/h5-6,8,10H,7,9,11-13,19H2,1-4H3.
What are the key properties of [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
[3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine has a molecular weight of 288.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-quinolin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is sourced from PubChem (CID 79911224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).