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

C20H38N2 — CID 144812745

IUPAC1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane
SMILESCC.CC.[H]/N=C1\C=CC(C)(CC)C=CN1/C=C\C(C)C(C)C
InChIInChI=1S/C16H26N2.2C2H6/c1-6-16(5)9-7-15(17)18(12-10-16)11-8-14(4)13(2)3;2*1-2/h7-14,17H,6H2,1-5H3;2*1-2H3/b11-8-,17-15+;;
InChIKeyHZNHJLXMAQHHNL-UULNAHNQSA-N
MW306.54 g/mol
LogP6.62
Rot. Bonds4

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

1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane (PubChem CID 144812745) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane.

Molecular Properties

Compound Name1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane
PubChem CID144812745
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane
SMILESCC.CC.[H]/N=C1\C=CC(C)(CC)C=CN1/C=C\C(C)C(C)C
InChIInChI=1S/C16H26N2.2C2H6/c1-6-16(5)9-7-15(17)18(12-10-16)11-8-14(4)13(2)3;2*1-2/h7-14,17H,6H2,1-5H3;2*1-2H3/b11-8-,17-15+;;
InChIKeyHZNHJLXMAQHHNL-UULNAHNQSA-N
XLogP6.62
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.62
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

1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine
CID 143288207
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
2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine;ethane
CID 144997975
2-Tert-butyl-2,8,8-trimethylpyrimido[1,2-a]azepine;2-methylpropane
CID 144997998
8-Tert-butyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine;ethane
CID 144998055
[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
CID 144998076
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
1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine
CID 144812746
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;ethane?
The IUPAC name of 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane (CID 144812745) is 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane.
What is the SMILES notation for 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane?
The canonical SMILES for 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane is CC.CC.[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;ethane?
The InChIKey is HZNHJLXMAQHHNL-UULNAHNQSA-N. The full InChI is InChI=1S/C16H26N2.2C2H6/c1-6-16(5)9-7-15(17)18(12-10-16)11-8-14(4)13(2)3;2*1-2/h7-14,17H,6H2,1-5H3;2*1-2H3/b11-8-,17-15+;;.
What are the key properties of 1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane?
1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane has a molecular weight of 306.54 g/mol, XLogP of 6.62, 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;ethane is sourced from PubChem (CID 144812745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).