3-prop-1-enyl-5-prop-1-en-2-ylaniline

C12H15N — CID 123370046

IUPAC3-prop-1-enyl-5-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(N)cc(C=CC)c1
InChIInChI=1S/C12H15N/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4-8H,2,13H2,1,3H3
InChIKeyUFAOGUCVOPZSJZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.34
Rot. Bonds2

About 3-prop-1-enyl-5-prop-1-en-2-ylaniline

3-prop-1-enyl-5-prop-1-en-2-ylaniline (PubChem CID 123370046) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-prop-1-enyl-5-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name3-prop-1-enyl-5-prop-1-en-2-ylaniline
PubChem CID123370046
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-prop-1-enyl-5-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(N)cc(C=CC)c1
InChIInChI=1S/C12H15N/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4-8H,2,13H2,1,3H3
InChIKeyUFAOGUCVOPZSJZ-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enyl-5-prop-1-en-2-ylaniline?
The IUPAC name of 3-prop-1-enyl-5-prop-1-en-2-ylaniline (CID 123370046) is 3-prop-1-enyl-5-prop-1-en-2-ylaniline.
What is the SMILES notation for 3-prop-1-enyl-5-prop-1-en-2-ylaniline?
The canonical SMILES for 3-prop-1-enyl-5-prop-1-en-2-ylaniline is C=C(C)c1cc(N)cc(C=CC)c1.
What is the InChIKey of 3-prop-1-enyl-5-prop-1-en-2-ylaniline?
The InChIKey is UFAOGUCVOPZSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4-8H,2,13H2,1,3H3.
What are the key properties of 3-prop-1-enyl-5-prop-1-en-2-ylaniline?
3-prop-1-enyl-5-prop-1-en-2-ylaniline has a molecular weight of 173.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enyl-5-prop-1-en-2-ylaniline is sourced from PubChem (CID 123370046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).