3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine

C11H18N2 — CID 136646954

IUPAC3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine
SMILESCCC1=CC=C(CC)/C(=N/C)NC1
InChIInChI=1S/C11H18N2/c1-4-9-6-7-10(5-2)11(12-3)13-8-9/h6-7H,4-5,8H2,1-3H3,(H,12,13)
InChIKeyUGEUOMIGOIEWHT-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.29
Rot. Bonds2

About 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine

3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine (PubChem CID 136646954) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine.

Molecular Properties

Compound Name3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine
PubChem CID136646954
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine
SMILESCCC1=CC=C(CC)/C(=N/C)NC1
InChIInChI=1S/C11H18N2/c1-4-9-6-7-10(5-2)11(12-3)13-8-9/h6-7H,4-5,8H2,1-3H3,(H,12,13)
InChIKeyUGEUOMIGOIEWHT-UHFFFAOYSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.29
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

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CID 89311716
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
CID 123185969
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
2,4-Dimethyl-1,2,6,7-tetrahydro-1,8-naphthyridine
CID 123586881
N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
CID 123919129
3-but-1-en-2-yl-N-propan-2-yl-5,6-dihydro-2H-azepin-7-amine
CID 129082407
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine?
The IUPAC name of 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine (CID 136646954) is 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine.
What is the SMILES notation for 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine?
The canonical SMILES for 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine is CCC1=CC=C(CC)/C(=N/C)NC1.
What is the InChIKey of 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine?
The InChIKey is UGEUOMIGOIEWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9-6-7-10(5-2)11(12-3)13-8-9/h6-7H,4-5,8H2,1-3H3,(H,12,13).
What are the key properties of 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine?
3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine has a molecular weight of 178.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine is sourced from PubChem (CID 136646954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).