N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine

C9H18N2O2 — CID 23270872

IUPACN,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine
SMILESCN(C)C[C@H]1O[C@]2(C)CNC[C@H]1O2
InChIInChI=1S/C9H18N2O2/c1-9-6-10-4-7(12-9)8(13-9)5-11(2)3/h7-8,10H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyZCTKJAMKCMTBJW-IWSPIJDZSA-N
MW186.25 g/mol
LogP-0.35
Rot. Bonds2

About N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine

N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine (PubChem CID 23270872) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine
PubChem CID23270872
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine
SMILESCN(C)C[C@H]1O[C@]2(C)CNC[C@H]1O2
InChIInChI=1S/C9H18N2O2/c1-9-6-10-4-7(12-9)8(13-9)5-11(2)3/h7-8,10H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyZCTKJAMKCMTBJW-IWSPIJDZSA-N
XLogP-0.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine (CID 23270872) is N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine is CN(C)C[C@H]1O[C@]2(C)CNC[C@H]1O2.
What is the InChIKey of N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine?
The InChIKey is ZCTKJAMKCMTBJW-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9-6-10-4-7(12-9)8(13-9)5-11(2)3/h7-8,10H,4-6H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine?
N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine has a molecular weight of 186.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine is sourced from PubChem (CID 23270872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).