1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine

C16H26N2 — CID 144812746

IUPAC1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine
SMILES[H]/N=C1\C=CC(C)(CC)C=CN1/C=C\C(C)C(C)C
InChIInChI=1S/C16H26N2/c1-6-16(5)9-7-15(17)18(12-10-16)11-8-14(4)13(2)3/h7-14,17H,6H2,1-5H3/b11-8-,17-15+
InChIKeyXYTOYEBOKKBTDC-XYWKCAQWSA-N
MW246.40 g/mol
LogP4.57
Rot. Bonds4

About 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine

1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine (PubChem CID 144812746) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine.

Molecular Properties

Compound Name1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine
PubChem CID144812746
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine
SMILES[H]/N=C1\C=CC(C)(CC)C=CN1/C=C\C(C)C(C)C
InChIInChI=1S/C16H26N2/c1-6-16(5)9-7-15(17)18(12-10-16)11-8-14(4)13(2)3/h7-14,17H,6H2,1-5H3/b11-8-,17-15+
InChIKeyXYTOYEBOKKBTDC-XYWKCAQWSA-N
XLogP4.57
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-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

ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
CID 142470847
1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine
CID 143288207
6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine
CID 144812738
1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane
CID 144812745
ethane;5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
CID 144812786
ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
CID 144812822
[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
CID 144998076
8-Ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
CID 146497600
N,5-dimethyl-1-[(Z)-pent-1-enyl]-5-propan-2-ylazepin-2-imine
CID 146497997
1-[(Z)-but-1-enyl]-N,5-dimethyl-5-propan-2-ylazepin-2-imine;ethane
CID 153551572
N,5-dimethyl-1-[(Z)-pent-1-enyl]-5-propan-2-ylazepin-2-imine;ethane
CID 153551583
5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
CID 144812787

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine?
The IUPAC name of 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine (CID 144812746) is 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine.
What is the SMILES notation for 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine?
The canonical SMILES for 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine is [H]/N=C1\C=CC(C)(CC)C=CN1/C=C\C(C)C(C)C.
What is the InChIKey of 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine?
The InChIKey is XYTOYEBOKKBTDC-XYWKCAQWSA-N. The full InChI is InChI=1S/C16H26N2/c1-6-16(5)9-7-15(17)18(12-10-16)11-8-14(4)13(2)3/h7-14,17H,6H2,1-5H3/b11-8-,17-15+.
What are the key properties of 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine?
1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine has a molecular weight of 246.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine is sourced from PubChem (CID 144812746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).