N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

C18H28N2O — CID 62417651

IUPACN-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCCc3cc(C)ccc32)O1
InChIInChI=1S/C18H28N2O/c1-3-19-12-16-7-8-17(21-16)13-20-10-4-5-15-11-14(2)6-9-18(15)20/h6,9,11,16-17,19H,3-5,7-8,10,12-13H2,1-2H3
InChIKeyQHBVCTLZFRLWEH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.90
Rot. Bonds5

About N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 62417651) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID62417651
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCCc3cc(C)ccc32)O1
InChIInChI=1S/C18H28N2O/c1-3-19-12-16-7-8-17(21-16)13-20-10-4-5-15-11-14(2)6-9-18(15)20/h6,9,11,16-17,19H,3-5,7-8,10,12-13H2,1-2H3
InChIKeyQHBVCTLZFRLWEH-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (CID 62417651) is N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CCCc3cc(C)ccc32)O1.
What is the InChIKey of N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is QHBVCTLZFRLWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-19-12-16-7-8-17(21-16)13-20-10-4-5-15-11-14(2)6-9-18(15)20/h6,9,11,16-17,19H,3-5,7-8,10,12-13H2,1-2H3.
What are the key properties of N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62417651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).