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

C22H34N4O — CID 74410126

IUPAC2-[2-amino-2-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C1CC2CCC(C1)N2CC1CCCCC1
InChIInChI=1S/C22H34N4O/c23-12-19-8-15-11-20(15)26(19)22(27)21(24)16-9-17-6-7-18(10-16)25(17)13-14-4-2-1-3-5-14/h14-21H,1-11,13,24H2
InChIKeyIURDFRVSCNLJJN-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.65
Rot. Bonds4

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

2-[2-amino-2-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 74410126) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[2-amino-2-[8-(cyclohexylmethyl)-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-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID74410126
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name2-[2-amino-2-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C1CC2CCC(C1)N2CC1CCCCC1
InChIInChI=1S/C22H34N4O/c23-12-19-8-15-11-20(15)26(19)22(27)21(24)16-9-17-6-7-18(10-16)25(17)13-14-4-2-1-3-5-14/h14-21H,1-11,13,24H2
InChIKeyIURDFRVSCNLJJN-UHFFFAOYSA-N
XLogP2.65
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.65
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-(cyclohexylmethyl)-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-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (CID 74410126) is 2-[2-amino-2-[8-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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)N2CC1CCCCC1.
What is the InChIKey of 2-[2-amino-2-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is IURDFRVSCNLJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c23-12-19-8-15-11-20(15)26(19)22(27)21(24)16-9-17-6-7-18(10-16)25(17)13-14-4-2-1-3-5-14/h14-21H,1-11,13,24H2.
What are the key properties of 2-[2-amino-2-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
2-[2-amino-2-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 370.54 g/mol, XLogP of 2.65, 4 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-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 74410126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).