4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

C18H28N2O — CID 79912418

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)OC(C)(C)C(CN2CCCc3ccccc32)C1N
InChIInChI=1S/C18H28N2O/c1-17(2)14(16(19)18(3,4)21-17)12-20-11-7-9-13-8-5-6-10-15(13)20/h5-6,8,10,14,16H,7,9,11-12,19H2,1-4H3
InChIKeyTVMJKNCYBHNDIO-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.97
Rot. Bonds2

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79912418) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79912418
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)OC(C)(C)C(CN2CCCc3ccccc32)C1N
InChIInChI=1S/C18H28N2O/c1-17(2)14(16(19)18(3,4)21-17)12-20-11-7-9-13-8-5-6-10-15(13)20/h5-6,8,10,14,16H,7,9,11-12,19H2,1-4H3
InChIKeyTVMJKNCYBHNDIO-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79912418) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)OC(C)(C)C(CN2CCCc3ccccc32)C1N.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is TVMJKNCYBHNDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2)14(16(19)18(3,4)21-17)12-20-11-7-9-13-8-5-6-10-15(13)20/h5-6,8,10,14,16H,7,9,11-12,19H2,1-4H3.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 288.43 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79912418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).