N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide

C15H23N3 — CID 123990513

IUPACN'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide
SMILESC/C=C(CC)\C(=C\C(C#N)=C(C)C(C)C)\N=C\N
InChIInChI=1S/C15H23N3/c1-6-13(7-2)15(18-10-17)8-14(9-16)12(5)11(3)4/h6,8,10-11H,7H2,1-5H3,(H2,17,18)/b13-6-,14-12?,15-8-
InChIKeyDGNIKDHHRMFWEH-VWWMEHNLSA-N
MW245.37 g/mol
LogP3.71
Rot. Bonds5

About N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide

N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide (PubChem CID 123990513) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide
PubChem CID123990513
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide
SMILESC/C=C(CC)\C(=C\C(C#N)=C(C)C(C)C)\N=C\N
InChIInChI=1S/C15H23N3/c1-6-13(7-2)15(18-10-17)8-14(9-16)12(5)11(3)4/h6,8,10-11H,7H2,1-5H3,(H2,17,18)/b13-6-,14-12?,15-8-
InChIKeyDGNIKDHHRMFWEH-VWWMEHNLSA-N
XLogP3.71
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide with MolForge

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Related Compounds

ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
CID 143256173
N'-[(2Z,4Z)-3-(1-aminoethenyl)-4-methylhexa-2,4-dien-2-yl]methanimidamide
CID 155072453
N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide
CID 166933538
N'-[(1Z)-1-(3-cyano-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]methanimidamide
CID 166968848
N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide
CID 170046310
N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
CID 143256174

Frequently Asked Questions

What is the IUPAC name of N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide?
The IUPAC name of N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide (CID 123990513) is N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide.
What is the SMILES notation for N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide?
The canonical SMILES for N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide is C/C=C(CC)\C(=C\C(C#N)=C(C)C(C)C)\N=C\N.
What is the InChIKey of N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide?
The InChIKey is DGNIKDHHRMFWEH-VWWMEHNLSA-N. The full InChI is InChI=1S/C15H23N3/c1-6-13(7-2)15(18-10-17)8-14(9-16)12(5)11(3)4/h6,8,10-11H,7H2,1-5H3,(H2,17,18)/b13-6-,14-12?,15-8-.
What are the key properties of N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide?
N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide has a molecular weight of 245.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide is sourced from PubChem (CID 123990513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).