3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine

C16H27N3O — CID 57211776

IUPAC3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)CCCc1nccn1CCOCC
InChIInChI=1S/C16H27N3O/c1-4-10-18(11-5-2)12-7-8-16-17-9-13-19(16)14-15-20-6-3/h4-5,9,13H,1-2,6-8,10-12,14-15H2,3H3
InChIKeyYQARSFPGNPGDJN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds12

About 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine

3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine (PubChem CID 57211776) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine
PubChem CID57211776
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)CCCc1nccn1CCOCC
InChIInChI=1S/C16H27N3O/c1-4-10-18(11-5-2)12-7-8-16-17-9-13-19(16)14-15-20-6-3/h4-5,9,13H,1-2,6-8,10-12,14-15H2,3H3
InChIKeyYQARSFPGNPGDJN-UHFFFAOYSA-N
XLogP2.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine 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 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine?
The IUPAC name of 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine (CID 57211776) is 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine.
What is the SMILES notation for 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine?
The canonical SMILES for 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine is C=CCN(CC=C)CCCc1nccn1CCOCC.
What is the InChIKey of 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine?
The InChIKey is YQARSFPGNPGDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-10-18(11-5-2)12-7-8-16-17-9-13-19(16)14-15-20-6-3/h4-5,9,13H,1-2,6-8,10-12,14-15H2,3H3.
What are the key properties of 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine?
3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-bis(prop-2-enyl)propan-1-amine is sourced from PubChem (CID 57211776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).