2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile

C10H17N3O — CID 166764053

IUPAC2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile
SMILESCOC1CC2CN(C)C1C2NCC#N
InChIInChI=1S/C10H17N3O/c1-13-6-7-5-8(14-2)10(13)9(7)12-4-3-11/h7-10,12H,4-6H2,1-2H3
InChIKeyHULDAUGGHRZIDF-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.18
Rot. Bonds3

About 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile

2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile (PubChem CID 166764053) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile
PubChem CID166764053
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile
SMILESCOC1CC2CN(C)C1C2NCC#N
InChIInChI=1S/C10H17N3O/c1-13-6-7-5-8(14-2)10(13)9(7)12-4-3-11/h7-10,12H,4-6H2,1-2H3
InChIKeyHULDAUGGHRZIDF-UHFFFAOYSA-N
XLogP-0.18
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile?
The IUPAC name of 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile (CID 166764053) is 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile?
The canonical SMILES for 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile is COC1CC2CN(C)C1C2NCC#N.
What is the InChIKey of 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile?
The InChIKey is HULDAUGGHRZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-6-7-5-8(14-2)10(13)9(7)12-4-3-11/h7-10,12H,4-6H2,1-2H3.
What are the key properties of 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile?
2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile has a molecular weight of 195.27 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile is sourced from PubChem (CID 166764053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).