1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile

C11H17N3 — CID 71431146

IUPAC1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile
SMILESCCNC1=CCC(C#N)(NCC)C=C1
InChIInChI=1S/C11H17N3/c1-3-13-10-5-7-11(9-12,8-6-10)14-4-2/h5-7,13-14H,3-4,8H2,1-2H3
InChIKeyYXWCPBDAAKPCIE-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.31
Rot. Bonds4

About 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile

1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile (PubChem CID 71431146) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile
PubChem CID71431146
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile
SMILESCCNC1=CCC(C#N)(NCC)C=C1
InChIInChI=1S/C11H17N3/c1-3-13-10-5-7-11(9-12,8-6-10)14-4-2/h5-7,13-14H,3-4,8H2,1-2H3
InChIKeyYXWCPBDAAKPCIE-UHFFFAOYSA-N
XLogP1.31
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile (CID 71431146) is 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile is CCNC1=CCC(C#N)(NCC)C=C1.
What is the InChIKey of 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is YXWCPBDAAKPCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-13-10-5-7-11(9-12,8-6-10)14-4-2/h5-7,13-14H,3-4,8H2,1-2H3.
What are the key properties of 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile?
1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 191.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethylamino)cyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 71431146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).