5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile

C16H24N4O — CID 170055314

IUPAC5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile
SMILESCC(C)N1CC2CCC(C1)N2C(=O)N1CC2(CC2C#N)C1
InChIInChI=1S/C16H24N4O/c1-11(2)18-7-13-3-4-14(8-18)20(13)15(21)19-9-16(10-19)5-12(16)6-17/h11-14H,3-5,7-10H2,1-2H3
InChIKeyIFKSJXHEOVWYST-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.51
Rot. Bonds1

About 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile

5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile (PubChem CID 170055314) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile.

Molecular Properties

Compound Name5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile
PubChem CID170055314
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile
SMILESCC(C)N1CC2CCC(C1)N2C(=O)N1CC2(CC2C#N)C1
InChIInChI=1S/C16H24N4O/c1-11(2)18-7-13-3-4-14(8-18)20(13)15(21)19-9-16(10-19)5-12(16)6-17/h11-14H,3-5,7-10H2,1-2H3
InChIKeyIFKSJXHEOVWYST-UHFFFAOYSA-N
XLogP1.51
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile?
The IUPAC name of 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile (CID 170055314) is 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile.
What is the SMILES notation for 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile?
The canonical SMILES for 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile is CC(C)N1CC2CCC(C1)N2C(=O)N1CC2(CC2C#N)C1.
What is the InChIKey of 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile?
The InChIKey is IFKSJXHEOVWYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)18-7-13-3-4-14(8-18)20(13)15(21)19-9-16(10-19)5-12(16)6-17/h11-14H,3-5,7-10H2,1-2H3.
What are the key properties of 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile?
5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-azaspiro[2.3]hexane-2-carbonitrile is sourced from PubChem (CID 170055314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).