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

C18H28N2O — CID 102662076

IUPACN-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCNC(C)c1ccc2c(c1)CCCN2CC1CCCO1
InChIInChI=1S/C18H28N2O/c1-3-19-14(2)15-8-9-18-16(12-15)6-4-10-20(18)13-17-7-5-11-21-17/h8-9,12,14,17,19H,3-7,10-11,13H2,1-2H3
InChIKeyOXCOQPDZSOXVLG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.29
Rot. Bonds5

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

N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 102662076) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID102662076
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCNC(C)c1ccc2c(c1)CCCN2CC1CCCO1
InChIInChI=1S/C18H28N2O/c1-3-19-14(2)15-8-9-18-16(12-15)6-4-10-20(18)13-17-7-5-11-21-17/h8-9,12,14,17,19H,3-7,10-11,13H2,1-2H3
InChIKeyOXCOQPDZSOXVLG-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 102662076) is N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CCNC(C)c1ccc2c(c1)CCCN2CC1CCCO1.
What is the InChIKey of N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is OXCOQPDZSOXVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-19-14(2)15-8-9-18-16(12-15)6-4-10-20(18)13-17-7-5-11-21-17/h8-9,12,14,17,19H,3-7,10-11,13H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 102662076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).