2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

C22H32N4O2 — CID 74410321

IUPAC2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C1CC2CCC(C1)N2C(=O)C1CCCCC1
InChIInChI=1S/C22H32N4O2/c23-12-18-8-14-11-19(14)26(18)22(28)20(24)15-9-16-6-7-17(10-15)25(16)21(27)13-4-2-1-3-5-13/h13-20H,1-11,24H2
InChIKeyXGOVTENOOSHSDW-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.18
Rot. Bonds3

About 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 74410321) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.

Molecular Properties

Compound Name2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID74410321
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C1CC2CCC(C1)N2C(=O)C1CCCCC1
InChIInChI=1S/C22H32N4O2/c23-12-18-8-14-11-19(14)26(18)22(28)20(24)15-9-16-6-7-17(10-15)25(16)21(27)13-4-2-1-3-5-13/h13-20H,1-11,24H2
InChIKeyXGOVTENOOSHSDW-UHFFFAOYSA-N
XLogP2.18
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The IUPAC name of 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (CID 74410321) is 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.
What is the SMILES notation for 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The canonical SMILES for 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is N#CC1CC2CC2N1C(=O)C(N)C1CC2CCC(C1)N2C(=O)C1CCCCC1.
What is the InChIKey of 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is XGOVTENOOSHSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c23-12-18-8-14-11-19(14)26(18)22(28)20(24)15-9-16-6-7-17(10-15)25(16)21(27)13-4-2-1-3-5-13/h13-20H,1-11,24H2.
What are the key properties of 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 384.52 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-[8-(cyclohexanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 74410321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).