ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine

C17H27N3 — CID 142597107

IUPACethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine
SMILESC=C=C(/C=C\C(=C)CC)c1cn(CCNC)cn1.CC
InChIInChI=1S/C15H21N3.C2H6/c1-5-13(3)7-8-14(6-2)15-11-18(12-17-15)10-9-16-4;1-2/h7-8,11-12,16H,2-3,5,9-10H2,1,4H3;1-2H3/b8-7-;
InChIKeyRLVAEEXWDXWVGD-CFYXSCKTSA-N
MW273.42 g/mol
LogP3.82
Rot. Bonds7

About ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine

ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine (PubChem CID 142597107) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine
PubChem CID142597107
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Nameethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine
SMILESC=C=C(/C=C\C(=C)CC)c1cn(CCNC)cn1.CC
InChIInChI=1S/C15H21N3.C2H6/c1-5-13(3)7-8-14(6-2)15-11-18(12-17-15)10-9-16-4;1-2/h7-8,11-12,16H,2-3,5,9-10H2,1,4H3;1-2H3/b8-7-;
InChIKeyRLVAEEXWDXWVGD-CFYXSCKTSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine 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 ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine?
The IUPAC name of ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine (CID 142597107) is ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine.
What is the SMILES notation for ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine?
The canonical SMILES for ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine is C=C=C(/C=C\C(=C)CC)c1cn(CCNC)cn1.CC.
What is the InChIKey of ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine?
The InChIKey is RLVAEEXWDXWVGD-CFYXSCKTSA-N. The full InChI is InChI=1S/C15H21N3.C2H6/c1-5-13(3)7-8-14(6-2)15-11-18(12-17-15)10-9-16-4;1-2/h7-8,11-12,16H,2-3,5,9-10H2,1,4H3;1-2H3/b8-7-;.
What are the key properties of ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine?
ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[4-[(4Z)-6-methylideneocta-1,2,4-trien-3-yl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 142597107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).