3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine

C10H16N2 — CID 136614238

IUPAC3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine
SMILESCCC1=CN/C(=N\C)C(C)=CC1
InChIInChI=1S/C10H16N2/c1-4-9-6-5-8(2)10(11-3)12-7-9/h5,7H,4,6H2,1-3H3,(H,11,12)
InChIKeySARCJAZQTXNPLB-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.25
Rot. Bonds1

About 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine

3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine (PubChem CID 136614238) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine.

Molecular Properties

Compound Name3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine
PubChem CID136614238
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine
SMILESCCC1=CN/C(=N\C)C(C)=CC1
InChIInChI=1S/C10H16N2/c1-4-9-6-5-8(2)10(11-3)12-7-9/h5,7H,4,6H2,1-3H3,(H,11,12)
InChIKeySARCJAZQTXNPLB-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
5-ethyl-6-methyl-4H-azepin-7-amine
CID 91252481
(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
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide
CID 123851049
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
CID 126659319
4-ethyl-N,5,6-trimethyl-1,4-dihydroazepin-7-imine
CID 136650330
N,6-dimethyl-3-methylidene-1H-azepin-2-imine
CID 137092150

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine?
The IUPAC name of 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine (CID 136614238) is 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine.
What is the SMILES notation for 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine?
The canonical SMILES for 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine is CCC1=CN/C(=N\C)C(C)=CC1.
What is the InChIKey of 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine?
The InChIKey is SARCJAZQTXNPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-6-5-8(2)10(11-3)12-7-9/h5,7H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine?
3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine has a molecular weight of 164.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine is sourced from PubChem (CID 136614238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).