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

C18H28N2O — CID 63495483

IUPACN-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CC(C)Cc3ccccc32)CCOC1
InChIInChI=1S/C18H28N2O/c1-3-19-12-18(8-9-21-14-18)13-20-11-15(2)10-16-6-4-5-7-17(16)20/h4-7,15,19H,3,8-14H2,1-2H3
InChIKeyRZJALIOCRXUDLO-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.70
Rot. Bonds5

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

N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 63495483) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID63495483
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CC(C)Cc3ccccc32)CCOC1
InChIInChI=1S/C18H28N2O/c1-3-19-12-18(8-9-21-14-18)13-20-11-15(2)10-16-6-4-5-7-17(16)20/h4-7,15,19H,3,8-14H2,1-2H3
InChIKeyRZJALIOCRXUDLO-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 63495483) is N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CC(C)Cc3ccccc32)CCOC1.
What is the InChIKey of N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is RZJALIOCRXUDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-19-12-18(8-9-21-14-18)13-20-11-15(2)10-16-6-4-5-7-17(16)20/h4-7,15,19H,3,8-14H2,1-2H3.
What are the key properties of N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63495483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).