1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine

C11H17N — CID 57011604

IUPAC1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C11H17N/c1-8(12)9-5-6-10(7-9)11(2,3)4/h5-7,9,12H,1-4H3/b12-8+
InChIKeyYTZAASDWTYHFHR-XYOKQWHBSA-N
MW163.26 g/mol
LogP3.18
Rot. Bonds1

About 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine

1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine (PubChem CID 57011604) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine
PubChem CID57011604
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C11H17N/c1-8(12)9-5-6-10(7-9)11(2,3)4/h5-7,9,12H,1-4H3/b12-8+
InChIKeyYTZAASDWTYHFHR-XYOKQWHBSA-N
XLogP3.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.18
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-Cyclopenta-2,4-dien-1-ylethanimine
CID 57004377
(4Z,6Z)-6-ethylocta-4,6-dien-3-imine
CID 89145523
(1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine
CID 89231670
(3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine
CID 89379513
(4Z,6Z)-2-methylocta-4,6-dien-3-imine
CID 89469247
(3Z,5Z)-5-propan-2-ylhepta-3,5-dien-2-imine
CID 89697336
6,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 90807590
(Z,3E)-3-propylideneoct-4-en-2-imine
CID 91245825
(4Z)-6,7-dimethylocta-4,6-dien-2-imine
CID 91246664
(4Z)-6-methylhepta-4,6-dien-2-imine
CID 91487307
(Z)-3-methyl-6-methylideneoct-4-en-2-imine
CID 91496365
(3Z,5E)-5-tert-butylhepta-3,5-dien-2-imine
CID 117808891

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine?
The IUPAC name of 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine (CID 57011604) is 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine.
What is the SMILES notation for 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine?
The canonical SMILES for 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine is [H]/N=C(\C)C1C=CC(C(C)(C)C)=C1.
What is the InChIKey of 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine?
The InChIKey is YTZAASDWTYHFHR-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H17N/c1-8(12)9-5-6-10(7-9)11(2,3)4/h5-7,9,12H,1-4H3/b12-8+.
What are the key properties of 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine?
1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine has a molecular weight of 163.26 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylcyclopenta-2,4-dien-1-yl)ethanimine is sourced from PubChem (CID 57011604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).