2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine

C16H24N2 — CID 173388349

IUPAC2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine
SMILESC=C(C)C1CC=C(C2=NC(C)C(C)N=C2C)CC1
InChIInChI=1S/C16H24N2/c1-10(2)14-6-8-15(9-7-14)16-13(5)17-11(3)12(4)18-16/h8,11-12,14H,1,6-7,9H2,2-5H3
InChIKeyNUFJBLSDPIXXQR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.98
Rot. Bonds2

About 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine

2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine (PubChem CID 173388349) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine.

Molecular Properties

Compound Name2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine
PubChem CID173388349
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine
SMILESC=C(C)C1CC=C(C2=NC(C)C(C)N=C2C)CC1
InChIInChI=1S/C16H24N2/c1-10(2)14-6-8-15(9-7-14)16-13(5)17-11(3)12(4)18-16/h8,11-12,14H,1,6-7,9H2,2-5H3
InChIKeyNUFJBLSDPIXXQR-UHFFFAOYSA-N
XLogP3.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
CID 118018671
2-[3-[2-[[3-(Dicyanomethyl)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]ethylimino]-5,5-dimethylcyclohexen-1-yl]propanedinitrile
CID 123395344
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
3-methyl-N-[2-[(3-methylcyclohex-2-en-1-ylidene)amino]propyl]cyclohex-2-en-1-imine
CID 67216503
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 70966118
7-Methyl-2,3,4,6,7,8-hexahydroquinoline
CID 85778147
(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine
CID 90785170
2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine
CID 91274350
1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine
CID 91394984

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine?
The IUPAC name of 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine (CID 173388349) is 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine.
What is the SMILES notation for 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine?
The canonical SMILES for 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine is C=C(C)C1CC=C(C2=NC(C)C(C)N=C2C)CC1.
What is the InChIKey of 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine?
The InChIKey is NUFJBLSDPIXXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10(2)14-6-8-15(9-7-14)16-13(5)17-11(3)12(4)18-16/h8,11-12,14H,1,6-7,9H2,2-5H3.
What are the key properties of 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine?
2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine has a molecular weight of 244.38 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)-2,3-dihydropyrazine is sourced from PubChem (CID 173388349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).