N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine

C12H19NO — CID 134534485

IUPACN,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine
SMILESC[C@@H]1C=CC=C(OCCN(C)C)C=C1
InChIInChI=1S/C12H19NO/c1-11-5-4-6-12(8-7-11)14-10-9-13(2)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyFGLNGXUTSAQGFE-LLVKDONJSA-N
MW193.29 g/mol
LogP2.21
Rot. Bonds4

About N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine

N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine (PubChem CID 134534485) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine
PubChem CID134534485
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine
SMILESC[C@@H]1C=CC=C(OCCN(C)C)C=C1
InChIInChI=1S/C12H19NO/c1-11-5-4-6-12(8-7-11)14-10-9-13(2)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyFGLNGXUTSAQGFE-LLVKDONJSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine (CID 134534485) is N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine is C[C@@H]1C=CC=C(OCCN(C)C)C=C1.
What is the InChIKey of N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine?
The InChIKey is FGLNGXUTSAQGFE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO/c1-11-5-4-6-12(8-7-11)14-10-9-13(2)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine?
N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine is sourced from PubChem (CID 134534485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).