2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen

C13H31N3O — CID 154680896

IUPAC2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen
SMILESCC.CC.NC(=O)N1CCC2(CCNCC2)C1.[H][H]
InChIInChI=1S/C9H17N3O.2C2H6.H2/c10-8(13)12-6-3-9(7-12)1-4-11-5-2-9;2*1-2;/h11H,1-7H2,(H2,10,13);2*1-2H3;1H
InChIKeyBZJDMFWZXCRYGQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.44
Rot. Bonds

About 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen

2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen (PubChem CID 154680896) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen
PubChem CID154680896
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen
SMILESCC.CC.NC(=O)N1CCC2(CCNCC2)C1.[H][H]
InChIInChI=1S/C9H17N3O.2C2H6.H2/c10-8(13)12-6-3-9(7-12)1-4-11-5-2-9;2*1-2;/h11H,1-7H2,(H2,10,13);2*1-2H3;1H
InChIKeyBZJDMFWZXCRYGQ-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen?
The IUPAC name of 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen (CID 154680896) is 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen is CC.CC.NC(=O)N1CCC2(CCNCC2)C1.[H][H].
What is the InChIKey of 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen?
The InChIKey is BZJDMFWZXCRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.2C2H6.H2/c10-8(13)12-6-3-9(7-12)1-4-11-5-2-9;2*1-2;/h11H,1-7H2,(H2,10,13);2*1-2H3;1H.
What are the key properties of 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen?
2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen has a molecular weight of 245.41 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decane-2-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 154680896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).