2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile

C17H15N3 — CID 658475

IUPAC2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile
SMILESN#CC1=C(C2CC2)CC(c2ccccc2)C(C#N)=C1N
InChIInChI=1S/C17H15N3/c18-9-15-13(11-4-2-1-3-5-11)8-14(12-6-7-12)16(10-19)17(15)20/h1-5,12-13H,6-8,20H2
InChIKeyJPWZQPMQUSGLCA-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.14
Rot. Bonds2

About 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile

2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile (PubChem CID 658475) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile
PubChem CID658475
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile
SMILESN#CC1=C(C2CC2)CC(c2ccccc2)C(C#N)=C1N
InChIInChI=1S/C17H15N3/c18-9-15-13(11-4-2-1-3-5-11)8-14(12-6-7-12)16(10-19)17(15)20/h1-5,12-13H,6-8,20H2
InChIKeyJPWZQPMQUSGLCA-UHFFFAOYSA-N
XLogP3.14
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile (CID 658475) is 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile is N#CC1=C(C2CC2)CC(c2ccccc2)C(C#N)=C1N.
What is the InChIKey of 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile?
The InChIKey is JPWZQPMQUSGLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-9-15-13(11-4-2-1-3-5-11)8-14(12-6-7-12)16(10-19)17(15)20/h1-5,12-13H,6-8,20H2.
What are the key properties of 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile?
2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile has a molecular weight of 261.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile is sourced from PubChem (CID 658475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).