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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Related Compounds

4-[2-(Methylamino)ethyl]cyclohexa-1,3-diene-1-carbonitrile
CID 163658397
2-amino-3-(6-fluoro-6-methyl-2,5,7,8-tetrahydro-1H-quinolin-3-yl)propanenitrile
CID 170632541
(2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 16737421
3-Cyano-4-ethyl-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine
CID 129799157
(2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 131144047
(2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 135015412
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920
(Z)-3-[2-(butylamino)cyclopenten-1-yl]-2-isocyanoprop-2-enenitrile
CID 59927449
2-[[1-Cyano-2-(cyclohexen-1-yl)ethyl]amino]pentanenitrile
CID 70363090
2,6-Dimethyl-4-pentyl-1,2-dihydropyridine-3,5-dicarbonitrile
CID 70968423
2-[5,5-Dimethyl-3-(prop-2-enylamino)cyclohex-2-en-1-ylidene]propanedinitrile
CID 87492370
5-Amino-4-(propylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 89014244

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).