[(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid

C22H36N2O2 — CID 145176242

IUPAC[(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid
SMILESC/C=C\c1ccccc1.CCCNC1CCC(NCCCC(=O)O)CC1
InChIInChI=1S/C13H26N2O2.C9H10/c1-2-9-14-11-5-7-12(8-6-11)15-10-3-4-13(16)17;1-2-6-9-7-4-3-5-8-9/h11-12,14-15H,2-10H2,1H3,(H,16,17);2-8H,1H3/b;6-2-
InChIKeyWRYFVJBPEOEQLT-MKSBNHLASA-N
MW360.54 g/mol
LogP4.47
Rot. Bonds9

About [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid

[(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid (PubChem CID 145176242) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid.

Molecular Properties

Compound Name[(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid
PubChem CID145176242
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name[(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid
SMILESC/C=C\c1ccccc1.CCCNC1CCC(NCCCC(=O)O)CC1
InChIInChI=1S/C13H26N2O2.C9H10/c1-2-9-14-11-5-7-12(8-6-11)15-10-3-4-13(16)17;1-2-6-9-7-4-3-5-8-9/h11-12,14-15H,2-10H2,1H3,(H,16,17);2-8H,1H3/b;6-2-
InChIKeyWRYFVJBPEOEQLT-MKSBNHLASA-N
XLogP4.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid 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 [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid?
The IUPAC name of [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid (CID 145176242) is [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid.
What is the SMILES notation for [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid?
The canonical SMILES for [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid is C/C=C\c1ccccc1.CCCNC1CCC(NCCCC(=O)O)CC1.
What is the InChIKey of [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid?
The InChIKey is WRYFVJBPEOEQLT-MKSBNHLASA-N. The full InChI is InChI=1S/C13H26N2O2.C9H10/c1-2-9-14-11-5-7-12(8-6-11)15-10-3-4-13(16)17;1-2-6-9-7-4-3-5-8-9/h11-12,14-15H,2-10H2,1H3,(H,16,17);2-8H,1H3/b;6-2-.
What are the key properties of [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid?
[(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid has a molecular weight of 360.54 g/mol, XLogP of 4.47, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid is sourced from PubChem (CID 145176242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).