1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone

C13H23NO — CID 166754880

IUPAC1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone
SMILESCNC1(C(C)=O)CC(CC(C)C)C2CC21
InChIInChI=1S/C13H23NO/c1-8(2)5-10-7-13(14-4,9(3)15)12-6-11(10)12/h8,10-12,14H,5-7H2,1-4H3
InChIKeySHZGZSTWFCNIFD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone

1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone (PubChem CID 166754880) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone
PubChem CID166754880
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone
SMILESCNC1(C(C)=O)CC(CC(C)C)C2CC21
InChIInChI=1S/C13H23NO/c1-8(2)5-10-7-13(14-4,9(3)15)12-6-11(10)12/h8,10-12,14H,5-7H2,1-4H3
InChIKeySHZGZSTWFCNIFD-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone?
The IUPAC name of 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone (CID 166754880) is 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone?
The canonical SMILES for 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone is CNC1(C(C)=O)CC(CC(C)C)C2CC21.
What is the InChIKey of 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone?
The InChIKey is SHZGZSTWFCNIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(2)5-10-7-13(14-4,9(3)15)12-6-11(10)12/h8,10-12,14H,5-7H2,1-4H3.
What are the key properties of 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone?
1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone is sourced from PubChem (CID 166754880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).