8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine

C16H25N — CID 156524352

IUPAC8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine
SMILESCCC12C=CC(NC)=CC=C1CCCCCC2
InChIInChI=1S/C16H25N/c1-3-16-12-7-5-4-6-8-14(16)9-10-15(17-2)11-13-16/h9-11,13,17H,3-8,12H2,1-2H3
InChIKeyQXAGRSMMZPFKQV-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.34
Rot. Bonds2

About 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine

8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine (PubChem CID 156524352) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine.

Molecular Properties

Compound Name8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine
PubChem CID156524352
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine
SMILESCCC12C=CC(NC)=CC=C1CCCCCC2
InChIInChI=1S/C16H25N/c1-3-16-12-7-5-4-6-8-14(16)9-10-15(17-2)11-13-16/h9-11,13,17H,3-8,12H2,1-2H3
InChIKeyQXAGRSMMZPFKQV-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine?
The IUPAC name of 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine (CID 156524352) is 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine.
What is the SMILES notation for 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine?
The canonical SMILES for 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine is CCC12C=CC(NC)=CC=C1CCCCCC2.
What is the InChIKey of 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine?
The InChIKey is QXAGRSMMZPFKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-16-12-7-5-4-6-8-14(16)9-10-15(17-2)11-13-16/h9-11,13,17H,3-8,12H2,1-2H3.
What are the key properties of 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine?
8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine has a molecular weight of 231.38 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-methylbicyclo[6.5.0]trideca-1(13),9,11-trien-11-amine is sourced from PubChem (CID 156524352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).