3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine

C10H16N2 — CID 123161081

IUPAC3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine
SMILES[H]/N=C1\CC(CC)C=NC(C)=C1C
InChIInChI=1S/C10H16N2/c1-4-9-5-10(11)7(2)8(3)12-6-9/h6,9,11H,4-5H2,1-3H3/b11-10+
InChIKeyORBHUKBGERJBOR-ZHACJKMWSA-N
MW164.25 g/mol
LogP2.80
Rot. Bonds1

About 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine

3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine (PubChem CID 123161081) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine.

Molecular Properties

Compound Name3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine
PubChem CID123161081
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine
SMILES[H]/N=C1\CC(CC)C=NC(C)=C1C
InChIInChI=1S/C10H16N2/c1-4-9-5-10(11)7(2)8(3)12-6-9/h6,9,11H,4-5H2,1-3H3/b11-10+
InChIKeyORBHUKBGERJBOR-ZHACJKMWSA-N
XLogP2.80
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-(methyliminomethyl)cyclohexen-1-amine
CID 89041577
(2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine
CID 122535939
N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
CID 123292891
1-(3-Ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine
CID 123420524
6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
4-(3-Methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine
CID 123823045
2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine
CID 126593320
4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine
CID 126599283
ethane;(2Z)-1-N-methyl-2-[1-(methylideneamino)ethylidene]pentane-1,4-diimine
CID 141838865
(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine
CID 146367196
(Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine
CID 156898706
(Z)-3-(C,N-dimethylcarbonimidoyl)-5-methylhex-2-en-2-amine
CID 156899022

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine?
The IUPAC name of 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine (CID 123161081) is 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine.
What is the SMILES notation for 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine?
The canonical SMILES for 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine is [H]/N=C1\CC(CC)C=NC(C)=C1C.
What is the InChIKey of 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine?
The InChIKey is ORBHUKBGERJBOR-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-5-10(11)7(2)8(3)12-6-9/h6,9,11H,4-5H2,1-3H3/b11-10+.
What are the key properties of 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine?
3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine has a molecular weight of 164.25 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine is sourced from PubChem (CID 123161081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).