N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine

C12H19NO — CID 142217341

IUPACN,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine
SMILESCN(C)CCOC1=CC2(C)CC2C=C1
InChIInChI=1S/C12H19NO/c1-12-8-10(12)4-5-11(9-12)14-7-6-13(2)3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyVHFNDCYXGCZXCU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.04
Rot. Bonds4

About N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine

N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine (PubChem CID 142217341) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine
PubChem CID142217341
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine
SMILESCN(C)CCOC1=CC2(C)CC2C=C1
InChIInChI=1S/C12H19NO/c1-12-8-10(12)4-5-11(9-12)14-7-6-13(2)3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyVHFNDCYXGCZXCU-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine (CID 142217341) is N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine is CN(C)CCOC1=CC2(C)CC2C=C1.
What is the InChIKey of N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine?
The InChIKey is VHFNDCYXGCZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12-8-10(12)4-5-11(9-12)14-7-6-13(2)3/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine?
N,N-dimethyl-2-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.04, 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-[(1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethanamine is sourced from PubChem (CID 142217341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).