N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide

C13H23N3O — CID 2905709

IUPACN-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
SMILESCCC12CN3CCN(CC(C3)C1NC(C)=O)C2
InChIInChI=1S/C13H23N3O/c1-3-13-8-15-4-5-16(9-13)7-11(6-15)12(13)14-10(2)17/h11-12H,3-9H2,1-2H3,(H,14,17)
InChIKeyGMODPUWRQHKYPH-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.15
Rot. Bonds2

About N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide

N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide (PubChem CID 2905709) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
PubChem CID2905709
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
SMILESCCC12CN3CCN(CC(C3)C1NC(C)=O)C2
InChIInChI=1S/C13H23N3O/c1-3-13-8-15-4-5-16(9-13)7-11(6-15)12(13)14-10(2)17/h11-12H,3-9H2,1-2H3,(H,14,17)
InChIKeyGMODPUWRQHKYPH-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide?
The IUPAC name of N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide (CID 2905709) is N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide is CCC12CN3CCN(CC(C3)C1NC(C)=O)C2.
What is the InChIKey of N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide?
The InChIKey is GMODPUWRQHKYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-13-8-15-4-5-16(9-13)7-11(6-15)12(13)14-10(2)17/h11-12H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide?
N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide is sourced from PubChem (CID 2905709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).