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

C17H26N2O — CID 103060120

IUPACN-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1CN1CC(C)Cc2ccccc21
InChIInChI=1S/C17H26N2O/c1-13-9-14-5-3-4-6-17(14)19(10-13)11-15-12-20-8-7-16(15)18-2/h3-6,13,15-16,18H,7-12H2,1-2H3
InChIKeyVVPVPMUIJBHUME-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.31
Rot. Bonds3

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

N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine (PubChem CID 103060120) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine
PubChem CID103060120
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1CN1CC(C)Cc2ccccc21
InChIInChI=1S/C17H26N2O/c1-13-9-14-5-3-4-6-17(14)19(10-13)11-15-12-20-8-7-16(15)18-2/h3-6,13,15-16,18H,7-12H2,1-2H3
InChIKeyVVPVPMUIJBHUME-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine (CID 103060120) is N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine is CNC1CCOCC1CN1CC(C)Cc2ccccc21.
What is the InChIKey of N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine?
The InChIKey is VVPVPMUIJBHUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-9-14-5-3-4-6-17(14)19(10-13)11-15-12-20-8-7-16(15)18-2/h3-6,13,15-16,18H,7-12H2,1-2H3.
What are the key properties of N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine?
N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103060120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).