2-pent-4-enylaniline

C11H15N — CID 57134945

IUPAC2-pent-4-enylaniline
SMILESC=CCCCc1ccccc1N
InChIInChI=1S/C11H15N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2,5-6,8-9H,1,3-4,7,12H2
InChIKeyAVEFDJMFPZBQKH-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.78
Rot. Bonds4

About 2-pent-4-enylaniline

2-pent-4-enylaniline (PubChem CID 57134945) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-pent-4-enylaniline.

Molecular Properties

Compound Name2-pent-4-enylaniline
PubChem CID57134945
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-pent-4-enylaniline
SMILESC=CCCCc1ccccc1N
InChIInChI=1S/C11H15N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2,5-6,8-9H,1,3-4,7,12H2
InChIKeyAVEFDJMFPZBQKH-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylaniline
CID 3036592
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
2-pent-4-enylbenzenesulfonamide
CID 153312111
3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide
CID 120610953
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
1-hex-5-enyl-2-propylbenzene
CID 18786540
1-pent-4-enyl-2-prop-1-en-2-ylbenzene
CID 143278192
2-tetradecylaniline
CID 22218918
CID 19904535
CID 19904535
1-methyl-2-oct-7-enylbenzene
CID 18786509
1-non-8-enylnaphthalene
CID 101304361
5-(2-aminophenyl)pent-2-enoic acid
CID 174865194

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enylaniline?
The IUPAC name of 2-pent-4-enylaniline (CID 57134945) is 2-pent-4-enylaniline.
What is the SMILES notation for 2-pent-4-enylaniline?
The canonical SMILES for 2-pent-4-enylaniline is C=CCCCc1ccccc1N.
What is the InChIKey of 2-pent-4-enylaniline?
The InChIKey is AVEFDJMFPZBQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2,5-6,8-9H,1,3-4,7,12H2.
What are the key properties of 2-pent-4-enylaniline?
2-pent-4-enylaniline has a molecular weight of 161.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enylaniline is sourced from PubChem (CID 57134945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).