2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide

C13H22N2O — CID 43402411

IUPAC2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
SMILESCC(NC1CC2CC1C1CCCC21)C(N)=O
InChIInChI=1S/C13H22N2O/c1-7(13(14)16)15-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,15H,2-6H2,1H3,(H2,14,16)
InChIKeyXCKCRQPMDQGFKC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.27
Rot. Bonds3

About 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide

2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide (PubChem CID 43402411) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide.

Molecular Properties

Compound Name2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
PubChem CID43402411
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
SMILESCC(NC1CC2CC1C1CCCC21)C(N)=O
InChIInChI=1S/C13H22N2O/c1-7(13(14)16)15-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,15H,2-6H2,1H3,(H2,14,16)
InChIKeyXCKCRQPMDQGFKC-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide?
The IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide (CID 43402411) is 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide.
What is the SMILES notation for 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide?
The canonical SMILES for 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide is CC(NC1CC2CC1C1CCCC21)C(N)=O.
What is the InChIKey of 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide?
The InChIKey is XCKCRQPMDQGFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-7(13(14)16)15-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,15H,2-6H2,1H3,(H2,14,16).
What are the key properties of 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide?
2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide is sourced from PubChem (CID 43402411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).