N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide

C13H22N2O — CID 71166315

IUPACN-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide
SMILESCC(=O)NC12CC3CCC(N)C(C1)C(C3)C2
InChIInChI=1S/C13H22N2O/c1-8(16)15-13-5-9-2-3-12(14)11(7-13)10(4-9)6-13/h9-12H,2-7,14H2,1H3,(H,15,16)
InChIKeyXLQPTPLSTLFPMV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.42
Rot. Bonds1

About N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide

N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide (PubChem CID 71166315) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide
PubChem CID71166315
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide
SMILESCC(=O)NC12CC3CCC(N)C(C1)C(C3)C2
InChIInChI=1S/C13H22N2O/c1-8(16)15-13-5-9-2-3-12(14)11(7-13)10(4-9)6-13/h9-12H,2-7,14H2,1H3,(H,15,16)
InChIKeyXLQPTPLSTLFPMV-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide?
The IUPAC name of N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide (CID 71166315) is N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide.
What is the SMILES notation for N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide?
The canonical SMILES for N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide is CC(=O)NC12CC3CCC(N)C(C1)C(C3)C2.
What is the InChIKey of N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide?
The InChIKey is XLQPTPLSTLFPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(16)15-13-5-9-2-3-12(14)11(7-13)10(4-9)6-13/h9-12H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide?
N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide is sourced from PubChem (CID 71166315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).