3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile

C10H14N2 — CID 89263558

IUPAC3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile
SMILESCCNC1(C)C=C(C#N)C=CC1
InChIInChI=1S/C10H14N2/c1-3-12-10(2)6-4-5-9(7-10)8-11/h4-5,7,12H,3,6H2,1-2H3
InChIKeyZLBQCYJFUSMLIP-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.76
Rot. Bonds2

About 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile

3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile (PubChem CID 89263558) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile
PubChem CID89263558
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile
SMILESCCNC1(C)C=C(C#N)C=CC1
InChIInChI=1S/C10H14N2/c1-3-12-10(2)6-4-5-9(7-10)8-11/h4-5,7,12H,3,6H2,1-2H3
InChIKeyZLBQCYJFUSMLIP-UHFFFAOYSA-N
XLogP1.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile (CID 89263558) is 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile is CCNC1(C)C=C(C#N)C=CC1.
What is the InChIKey of 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is ZLBQCYJFUSMLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-12-10(2)6-4-5-9(7-10)8-11/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile?
3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 89263558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).