1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine

C19H35N — CID 139443878

IUPAC1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine
SMILES[H]/N=C(\C)C1CCC(C(C)C)CCCC1C(=C)C(C)(C)C
InChIInChI=1S/C19H35N/c1-13(2)16-9-8-10-17(14(3)19(5,6)7)18(12-11-16)15(4)20/h13,16-18,20H,3,8-12H2,1-2,4-7H3/b20-15+
InChIKeyHAIOUASQLLLQLR-HMMYKYKNSA-N
MW277.50 g/mol
LogP6.10
Rot. Bonds3

About 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine

1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine (PubChem CID 139443878) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine
PubChem CID139443878
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine
SMILES[H]/N=C(\C)C1CCC(C(C)C)CCCC1C(=C)C(C)(C)C
InChIInChI=1S/C19H35N/c1-13(2)16-9-8-10-17(14(3)19(5,6)7)18(12-11-16)15(4)20/h13,16-18,20H,3,8-12H2,1-2,4-7H3/b20-15+
InChIKeyHAIOUASQLLLQLR-HMMYKYKNSA-N
XLogP6.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine?
The IUPAC name of 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine (CID 139443878) is 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine.
What is the SMILES notation for 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine?
The canonical SMILES for 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine is [H]/N=C(\C)C1CCC(C(C)C)CCCC1C(=C)C(C)(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine?
The InChIKey is HAIOUASQLLLQLR-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H35N/c1-13(2)16-9-8-10-17(14(3)19(5,6)7)18(12-11-16)15(4)20/h13,16-18,20H,3,8-12H2,1-2,4-7H3/b20-15+.
What are the key properties of 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine?
1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine has a molecular weight of 277.50 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbut-1-en-2-yl)-6-propan-2-ylcyclooctyl]ethanimine is sourced from PubChem (CID 139443878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).