4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine

C11H18N2 — CID 136650330

IUPAC4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine
SMILESCCC1C=CN/C(=N\C)C(C)=C1C
InChIInChI=1S/C11H18N2/c1-5-10-6-7-13-11(12-4)9(3)8(10)2/h6-7,10H,5H2,1-4H3,(H,12,13)
InChIKeyUZZVFLWERWCLIF-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.49
Rot. Bonds1

About 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine

4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine (PubChem CID 136650330) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine.

Molecular Properties

Compound Name4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine
PubChem CID136650330
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine
SMILESCCC1C=CN/C(=N\C)C(C)=C1C
InChIInChI=1S/C11H18N2/c1-5-10-6-7-13-11(12-4)9(3)8(10)2/h6-7,10H,5H2,1-4H3,(H,12,13)
InChIKeyUZZVFLWERWCLIF-UHFFFAOYSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
CID 89383546
(5Z)-N-ethenyl-5-(2-methylbutylidene)-3,4-dihydro-2H-pyridin-6-amine
CID 90689208
(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
CID 118900424
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
2-(4-Methylcyclohexen-1-yl)-1,4-dihydropyrimidine
CID 123240186
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
N-ethenyl-N',6,7-trimethyl-5-[1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethyl]cyclohepta-1,3,5-triene-1-carboximidamide
CID 123666018
N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 123705184
(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
CID 126659319
(3E)-3-[(E)-3-[(Z)-but-1-enyl]-5-methylhept-3-en-2-ylidene]-N-ethenylpyrrol-2-amine
CID 126660952
(3Z)-N-ethenyl-3-(3-methyl-2-methylidenebutylidene)pyrrol-2-amine
CID 130179056

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine?
The IUPAC name of 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine (CID 136650330) is 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine.
What is the SMILES notation for 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine?
The canonical SMILES for 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine is CCC1C=CN/C(=N\C)C(C)=C1C.
What is the InChIKey of 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine?
The InChIKey is UZZVFLWERWCLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-10-6-7-13-11(12-4)9(3)8(10)2/h6-7,10H,5H2,1-4H3,(H,12,13).
What are the key properties of 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine?
4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine has a molecular weight of 178.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine is sourced from PubChem (CID 136650330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).