N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide

C17H33N3 — CID 139314352

IUPACN-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide
SMILESCC/C=C/CC(C)(CC)/C(=C/NCCC)N/C(C)=N/C
InChIInChI=1S/C17H33N3/c1-7-10-11-12-17(5,9-3)16(14-19-13-8-2)20-15(4)18-6/h10-11,14,19H,7-9,12-13H2,1-6H3,(H,18,20)/b11-10+,16-14-
InChIKeyFFABGTVCVQUKLA-LNCFZFMDSA-N
MW279.47 g/mol
LogP4.24
Rot. Bonds9

About N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide

N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide (PubChem CID 139314352) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide
PubChem CID139314352
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide
SMILESCC/C=C/CC(C)(CC)/C(=C/NCCC)N/C(C)=N/C
InChIInChI=1S/C17H33N3/c1-7-10-11-12-17(5,9-3)16(14-19-13-8-2)20-15(4)18-6/h10-11,14,19H,7-9,12-13H2,1-6H3,(H,18,20)/b11-10+,16-14-
InChIKeyFFABGTVCVQUKLA-LNCFZFMDSA-N
XLogP4.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide 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 N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide?
The IUPAC name of N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide (CID 139314352) is N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide?
The canonical SMILES for N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide is CC/C=C/CC(C)(CC)/C(=C/NCCC)N/C(C)=N/C.
What is the InChIKey of N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide?
The InChIKey is FFABGTVCVQUKLA-LNCFZFMDSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-10-11-12-17(5,9-3)16(14-19-13-8-2)20-15(4)18-6/h10-11,14,19H,7-9,12-13H2,1-6H3,(H,18,20)/b11-10+,16-14-.
What are the key properties of N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide?
N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide has a molecular weight of 279.47 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide is sourced from PubChem (CID 139314352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).