2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile

C14H20N2 — CID 134172951

IUPAC2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile
SMILESC=C(C)NC1CC(CC)=CC(CC)=C1C#N
InChIInChI=1S/C14H20N2/c1-5-11-7-12(6-2)13(9-15)14(8-11)16-10(3)4/h7,14,16H,3,5-6,8H2,1-2,4H3
InChIKeyIFYDRRAZVDYGBK-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.45
Rot. Bonds4

About 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile

2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 134172951) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile
PubChem CID134172951
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile
SMILESC=C(C)NC1CC(CC)=CC(CC)=C1C#N
InChIInChI=1S/C14H20N2/c1-5-11-7-12(6-2)13(9-15)14(8-11)16-10(3)4/h7,14,16H,3,5-6,8H2,1-2,4H3
InChIKeyIFYDRRAZVDYGBK-UHFFFAOYSA-N
XLogP3.45
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile (CID 134172951) is 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile is C=C(C)NC1CC(CC)=CC(CC)=C1C#N.
What is the InChIKey of 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is IFYDRRAZVDYGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-11-7-12(6-2)13(9-15)14(8-11)16-10(3)4/h7,14,16H,3,5-6,8H2,1-2,4H3.
What are the key properties of 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile?
2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 134172951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).