2-but-1-en-2-yl-5-ethyl-4-propylaniline

C15H23N — CID 155017477

IUPAC2-but-1-en-2-yl-5-ethyl-4-propylaniline
SMILESC=C(CC)c1cc(CCC)c(CC)cc1N
InChIInChI=1S/C15H23N/c1-5-8-13-9-14(11(4)6-2)15(16)10-12(13)7-3/h9-10H,4-8,16H2,1-3H3
InChIKeyMMPNSALXINJOJA-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.21
Rot. Bonds5

About 2-but-1-en-2-yl-5-ethyl-4-propylaniline

2-but-1-en-2-yl-5-ethyl-4-propylaniline (PubChem CID 155017477) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-but-1-en-2-yl-5-ethyl-4-propylaniline.

Molecular Properties

Compound Name2-but-1-en-2-yl-5-ethyl-4-propylaniline
PubChem CID155017477
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-but-1-en-2-yl-5-ethyl-4-propylaniline
SMILESC=C(CC)c1cc(CCC)c(CC)cc1N
InChIInChI=1S/C15H23N/c1-5-8-13-9-14(11(4)6-2)15(16)10-12(13)7-3/h9-10H,4-8,16H2,1-3H3
InChIKeyMMPNSALXINJOJA-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-but-1-en-2-yl-5-ethyl-4-propylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-5-ethyl-4-propylaniline?
The IUPAC name of 2-but-1-en-2-yl-5-ethyl-4-propylaniline (CID 155017477) is 2-but-1-en-2-yl-5-ethyl-4-propylaniline.
What is the SMILES notation for 2-but-1-en-2-yl-5-ethyl-4-propylaniline?
The canonical SMILES for 2-but-1-en-2-yl-5-ethyl-4-propylaniline is C=C(CC)c1cc(CCC)c(CC)cc1N.
What is the InChIKey of 2-but-1-en-2-yl-5-ethyl-4-propylaniline?
The InChIKey is MMPNSALXINJOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-8-13-9-14(11(4)6-2)15(16)10-12(13)7-3/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 2-but-1-en-2-yl-5-ethyl-4-propylaniline?
2-but-1-en-2-yl-5-ethyl-4-propylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-5-ethyl-4-propylaniline is sourced from PubChem (CID 155017477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).