4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine

C24H43N — CID 90813962

IUPAC4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
SMILES[H]/N=C(\CCC(C)C)C(C)(CC)CCC=C1CCC1(C)CCC=C(C)C
InChIInChI=1S/C24H43N/c1-8-23(6,22(25)14-13-20(4)5)16-10-12-21-15-18-24(21,7)17-9-11-19(2)3/h11-12,20,25H,8-10,13-18H2,1-7H3/b21-12?,25-22+
InChIKeyILOMITLZXCMUQU-WJZWHPSISA-N
MW345.62 g/mol
LogP8.11
Rot. Bonds11

About 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine

4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine (PubChem CID 90813962) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine.

Molecular Properties

Compound Name4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
PubChem CID90813962
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
SMILES[H]/N=C(\CCC(C)C)C(C)(CC)CCC=C1CCC1(C)CCC=C(C)C
InChIInChI=1S/C24H43N/c1-8-23(6,22(25)14-13-20(4)5)16-10-12-21-15-18-24(21,7)17-9-11-19(2)3/h11-12,20,25H,8-10,13-18H2,1-7H3/b21-12?,25-22+
InChIKeyILOMITLZXCMUQU-WJZWHPSISA-N
XLogP8.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 58.11
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 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine with MolForge

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Related Compounds

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(3R)-3,5,5-trimethyl-1-(2-methylcycloprop-2-en-1-yl)hexan-2-imine
CID 121480625
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine?
The IUPAC name of 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine (CID 90813962) is 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine.
What is the SMILES notation for 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine?
The canonical SMILES for 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine is [H]/N=C(\CCC(C)C)C(C)(CC)CCC=C1CCC1(C)CCC=C(C)C.
What is the InChIKey of 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine?
The InChIKey is ILOMITLZXCMUQU-WJZWHPSISA-N. The full InChI is InChI=1S/C24H43N/c1-8-23(6,22(25)14-13-20(4)5)16-10-12-21-15-18-24(21,7)17-9-11-19(2)3/h11-12,20,25H,8-10,13-18H2,1-7H3/b21-12?,25-22+.
What are the key properties of 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine?
4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine has a molecular weight of 345.62 g/mol, XLogP of 8.11, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine is sourced from PubChem (CID 90813962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).