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

C21H32N4O — CID 74410408

IUPAC2-[2-amino-2-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C1CC2CCC(C1)N2C1CCCCC1
InChIInChI=1S/C21H32N4O/c22-12-18-8-13-11-19(13)25(18)21(26)20(23)14-9-16-6-7-17(10-14)24(16)15-4-2-1-3-5-15/h13-20H,1-11,23H2
InChIKeyHFPHACNGSLZXBG-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.40
Rot. Bonds3

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

2-[2-amino-2-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 74410408) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[2-amino-2-(8-cyclohexyl-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-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID74410408
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-[2-amino-2-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C1CC2CCC(C1)N2C1CCCCC1
InChIInChI=1S/C21H32N4O/c22-12-18-8-13-11-19(13)25(18)21(26)20(23)14-9-16-6-7-17(10-14)24(16)15-4-2-1-3-5-15/h13-20H,1-11,23H2
InChIKeyHFPHACNGSLZXBG-UHFFFAOYSA-N
XLogP2.40
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.40
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-cyclohexyl-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-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (CID 74410408) is 2-[2-amino-2-(8-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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)N2C1CCCCC1.
What is the InChIKey of 2-[2-amino-2-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is HFPHACNGSLZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c22-12-18-8-13-11-19(13)25(18)21(26)20(23)14-9-16-6-7-17(10-14)24(16)15-4-2-1-3-5-15/h13-20H,1-11,23H2.
What are the key properties of 2-[2-amino-2-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
2-[2-amino-2-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 356.51 g/mol, XLogP of 2.40, 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-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 74410408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).