N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine

C18H28N2O — CID 63740113

IUPACN-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CN2CCCc3cc(C)ccc32)CCCOC1
InChIInChI=1S/C18H28N2O/c1-15-6-7-17-16(11-15)5-3-9-20(17)13-18(12-19-2)8-4-10-21-14-18/h6-7,11,19H,3-5,8-10,12-14H2,1-2H3
InChIKeyPOSJSIURNFAHDW-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.76
Rot. Bonds4

About N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine

N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine (PubChem CID 63740113) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine
PubChem CID63740113
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CN2CCCc3cc(C)ccc32)CCCOC1
InChIInChI=1S/C18H28N2O/c1-15-6-7-17-16(11-15)5-3-9-20(17)13-18(12-19-2)8-4-10-21-14-18/h6-7,11,19H,3-5,8-10,12-14H2,1-2H3
InChIKeyPOSJSIURNFAHDW-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine (CID 63740113) is N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine is CNCC1(CN2CCCc3cc(C)ccc32)CCCOC1.
What is the InChIKey of N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine?
The InChIKey is POSJSIURNFAHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-6-7-17-16(11-15)5-3-9-20(17)13-18(12-19-2)8-4-10-21-14-18/h6-7,11,19H,3-5,8-10,12-14H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine?
N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 63740113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).