4-(2-aminopent-4-en-2-yl)benzaldehyde

C12H15NO — CID 145484483

IUPAC4-(2-aminopent-4-en-2-yl)benzaldehyde
SMILESC=CCC(C)(N)c1ccc(C=O)cc1
InChIInChI=1S/C12H15NO/c1-3-8-12(2,13)11-6-4-10(9-14)5-7-11/h3-7,9H,1,8,13H2,2H3
InChIKeyCNNQLYMRAOQDNF-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.25
Rot. Bonds4

About 4-(2-aminopent-4-en-2-yl)benzaldehyde

4-(2-aminopent-4-en-2-yl)benzaldehyde (PubChem CID 145484483) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2-aminopent-4-en-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-aminopent-4-en-2-yl)benzaldehyde
PubChem CID145484483
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(2-aminopent-4-en-2-yl)benzaldehyde
SMILESC=CCC(C)(N)c1ccc(C=O)cc1
InChIInChI=1S/C12H15NO/c1-3-8-12(2,13)11-6-4-10(9-14)5-7-11/h3-7,9H,1,8,13H2,2H3
InChIKeyCNNQLYMRAOQDNF-UHFFFAOYSA-N
XLogP2.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopent-4-en-2-yl)benzaldehyde?
The IUPAC name of 4-(2-aminopent-4-en-2-yl)benzaldehyde (CID 145484483) is 4-(2-aminopent-4-en-2-yl)benzaldehyde.
What is the SMILES notation for 4-(2-aminopent-4-en-2-yl)benzaldehyde?
The canonical SMILES for 4-(2-aminopent-4-en-2-yl)benzaldehyde is C=CCC(C)(N)c1ccc(C=O)cc1.
What is the InChIKey of 4-(2-aminopent-4-en-2-yl)benzaldehyde?
The InChIKey is CNNQLYMRAOQDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-8-12(2,13)11-6-4-10(9-14)5-7-11/h3-7,9H,1,8,13H2,2H3.
What are the key properties of 4-(2-aminopent-4-en-2-yl)benzaldehyde?
4-(2-aminopent-4-en-2-yl)benzaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopent-4-en-2-yl)benzaldehyde is sourced from PubChem (CID 145484483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).