2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile

C16H20N2O — CID 63905910

IUPAC2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile
SMILESN#CC(N)(COc1ccc2c(c1)CCCC2)C1CC1
InChIInChI=1S/C16H20N2O/c17-10-16(18,14-6-7-14)11-19-15-8-5-12-3-1-2-4-13(12)9-15/h5,8-9,14H,1-4,6-7,11,18H2
InChIKeySIBJTIXTSJYUBV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile

2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile (PubChem CID 63905910) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile
PubChem CID63905910
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile
SMILESN#CC(N)(COc1ccc2c(c1)CCCC2)C1CC1
InChIInChI=1S/C16H20N2O/c17-10-16(18,14-6-7-14)11-19-15-8-5-12-3-1-2-4-13(12)9-15/h5,8-9,14H,1-4,6-7,11,18H2
InChIKeySIBJTIXTSJYUBV-UHFFFAOYSA-N
XLogP2.58
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile (CID 63905910) is 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile is N#CC(N)(COc1ccc2c(c1)CCCC2)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile?
The InChIKey is SIBJTIXTSJYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-10-16(18,14-6-7-14)11-19-15-8-5-12-3-1-2-4-13(12)9-15/h5,8-9,14H,1-4,6-7,11,18H2.
What are the key properties of 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile?
2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile has a molecular weight of 256.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile is sourced from PubChem (CID 63905910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).