2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one

C18H31NO — CID 170418573

IUPAC2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one
SMILESCC(C)C1CC12CCC1(CCN(C(C)C)CC1)CC2=O
InChIInChI=1S/C18H31NO/c1-13(2)15-11-18(15)6-5-17(12-16(18)20)7-9-19(10-8-17)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyXWSBBHMJSIONKN-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.89
Rot. Bonds2

About 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one

2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one (PubChem CID 170418573) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one.

Molecular Properties

Compound Name2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one
PubChem CID170418573
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one
SMILESCC(C)C1CC12CCC1(CCN(C(C)C)CC1)CC2=O
InChIInChI=1S/C18H31NO/c1-13(2)15-11-18(15)6-5-17(12-16(18)20)7-9-19(10-8-17)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyXWSBBHMJSIONKN-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one?
The IUPAC name of 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one (CID 170418573) is 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one.
What is the SMILES notation for 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one?
The canonical SMILES for 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one is CC(C)C1CC12CCC1(CCN(C(C)C)CC1)CC2=O.
What is the InChIKey of 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one?
The InChIKey is XWSBBHMJSIONKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)15-11-18(15)6-5-17(12-16(18)20)7-9-19(10-8-17)14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one?
2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one has a molecular weight of 277.45 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one is sourced from PubChem (CID 170418573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).