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

C20H32N4O — CID 74410323

IUPAC2-[2-amino-2-(8-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESCCC(CC)N1C2CCC1CC(C(N)C(=O)N1C(C#N)CC3CC31)C2
InChIInChI=1S/C20H32N4O/c1-3-14(4-2)23-15-5-6-16(23)9-13(8-15)19(22)20(25)24-17(11-21)7-12-10-18(12)24/h12-19H,3-10,22H2,1-2H3
InChIKeyZYUOVKSZBLSPGI-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.26
Rot. Bonds5

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

2-[2-amino-2-(8-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 74410323) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[2-amino-2-(8-pentan-3-yl-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-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID74410323
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-[2-amino-2-(8-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESCCC(CC)N1C2CCC1CC(C(N)C(=O)N1C(C#N)CC3CC31)C2
InChIInChI=1S/C20H32N4O/c1-3-14(4-2)23-15-5-6-16(23)9-13(8-15)19(22)20(25)24-17(11-21)7-12-10-18(12)24/h12-19H,3-10,22H2,1-2H3
InChIKeyZYUOVKSZBLSPGI-UHFFFAOYSA-N
XLogP2.26
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.26
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-pentan-3-yl-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-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (CID 74410323) is 2-[2-amino-2-(8-pentan-3-yl-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-pentan-3-yl-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-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is CCC(CC)N1C2CCC1CC(C(N)C(=O)N1C(C#N)CC3CC31)C2.
What is the InChIKey of 2-[2-amino-2-(8-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is ZYUOVKSZBLSPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-14(4-2)23-15-5-6-16(23)9-13(8-15)19(22)20(25)24-17(11-21)7-12-10-18(12)24/h12-19H,3-10,22H2,1-2H3.
What are the key properties of 2-[2-amino-2-(8-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
2-[2-amino-2-(8-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 344.50 g/mol, XLogP of 2.26, 5 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-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 74410323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).