4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine

C19H28N2 — CID 91016536

IUPAC4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine
SMILESCCC1=C(C)C(C)=CC(N=C2C=CC(CC)CC2C)N=C1
InChIInChI=1S/C19H28N2/c1-6-16-8-9-18(14(4)10-16)21-19-11-13(3)15(5)17(7-2)12-20-19/h8-9,11-12,14,16,19H,6-7,10H2,1-5H3
InChIKeyBQQGXKHZXQEUDI-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.13
Rot. Bonds3

About 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine

4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine (PubChem CID 91016536) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine
PubChem CID91016536
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine
SMILESCCC1=C(C)C(C)=CC(N=C2C=CC(CC)CC2C)N=C1
InChIInChI=1S/C19H28N2/c1-6-16-8-9-18(14(4)10-16)21-19-11-13(3)15(5)17(7-2)12-20-19/h8-9,11-12,14,16,19H,6-7,10H2,1-5H3
InChIKeyBQQGXKHZXQEUDI-UHFFFAOYSA-N
XLogP5.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
(E)-N-(chloromethyl)-5-[6-ethenyl-7-[(Z)-prop-1-enyl]-5H-1,3-diazepin-5-yl]hept-4-en-3-imine
CID 91143710
4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine
CID 123586387
7-(3,4-Dihydropyridin-5-yl)-2-ethyl-3,3a,4,8a-tetrahydrocyclohepta[b]pyrrole
CID 123908900
(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine
CID 129238427
3-(2-cyclohexa-1,5-dien-1-yl-3-methyl-2,3-dihydropyridin-5-yl)-N-methylpropan-1-imine
CID 137435393
(3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine
CID 138630908
CID 141777373
CID 141777373
1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane
CID 143032041
N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine
CID 143699749
(5Z)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-6-methylidenecyclohexa-1,3-diene;N-[(4E,6Z,8Z)-3,5-dimethyldeca-1,2,4,6,8-pentaen-4-yl]-1-(3-methylidene-2H-pyridin-5-yl)propan-2-imine;ethane
CID 143721791
1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine
CID 143882565

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine?
The IUPAC name of 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine (CID 91016536) is 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine?
The canonical SMILES for 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine is CCC1=C(C)C(C)=CC(N=C2C=CC(CC)CC2C)N=C1.
What is the InChIKey of 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine?
The InChIKey is BQQGXKHZXQEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-6-16-8-9-18(14(4)10-16)21-19-11-13(3)15(5)17(7-2)12-20-19/h8-9,11-12,14,16,19H,6-7,10H2,1-5H3.
What are the key properties of 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine?
4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine has a molecular weight of 284.45 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 91016536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).