1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine

C13H21NO — CID 102649558

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1CC2CC2C1
InChIInChI=1S/C13H21NO/c1-14-13(12-4-2-3-5-15-12)11-7-9-6-10(9)8-11/h4,9-11,13-14H,2-3,5-8H2,1H3
InChIKeyLPRGXTICUILDNC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.31
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine

1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine (PubChem CID 102649558) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
PubChem CID102649558
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1CC2CC2C1
InChIInChI=1S/C13H21NO/c1-14-13(12-4-2-3-5-15-12)11-7-9-6-10(9)8-11/h4,9-11,13-14H,2-3,5-8H2,1H3
InChIKeyLPRGXTICUILDNC-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 102648003
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
[3,4-dihydro-2H-pyran-6-yl-(5-methyloxolan-3-yl)methyl]hydrazine
CID 102650408
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 102647752
N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102648915
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine (CID 102649558) is 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine is CNC(C1=CCCCO1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The InChIKey is LPRGXTICUILDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-14-13(12-4-2-3-5-15-12)11-7-9-6-10(9)8-11/h4,9-11,13-14H,2-3,5-8H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine is sourced from PubChem (CID 102649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).