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

C9H12N2 — CID 70333080

IUPAC2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile
SMILESCCNC1=CC=CCC1C#N
InChIInChI=1S/C9H12N2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-4,6,8,11H,2,5H2,1H3
InChIKeyLQDTWOUDQZAVDF-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.58
Rot. Bonds2

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

2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile (PubChem CID 70333080) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile
PubChem CID70333080
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile
SMILESCCNC1=CC=CCC1C#N
InChIInChI=1S/C9H12N2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-4,6,8,11H,2,5H2,1H3
InChIKeyLQDTWOUDQZAVDF-UHFFFAOYSA-N
XLogP1.58
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile (CID 70333080) is 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile is CCNC1=CC=CCC1C#N.
What is the InChIKey of 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is LQDTWOUDQZAVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-4,6,8,11H,2,5H2,1H3.
What are the key properties of 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile?
2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)cyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 70333080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).