1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C15H26N2O — CID 102648003

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCNC(C1=CCCCO1)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H26N2O/c1-16-15(14-5-3-4-8-18-14)11-9-12-6-7-13(10-11)17(12)2/h5,11-13,15-16H,3-4,6-10H2,1-2H3
InChIKeyDXIOCITYTQYSIU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.14
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 102648003) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID102648003
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCNC(C1=CCCCO1)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H26N2O/c1-16-15(14-5-3-4-8-18-14)11-9-12-6-7-13(10-11)17(12)2/h5,11-13,15-16H,3-4,6-10H2,1-2H3
InChIKeyDXIOCITYTQYSIU-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649558
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 102647602
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 102647624
1-cyclohexyl-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102651300
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107191585
1-(4-butylcyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649544
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
1-(2,3-dihydrofuran-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 102651699
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 104542827
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 102647752

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 102648003) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CNC(C1=CCCCO1)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is DXIOCITYTQYSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16-15(14-5-3-4-8-18-14)11-9-12-6-7-13(10-11)17(12)2/h5,11-13,15-16H,3-4,6-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 102648003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).