N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide

C14H26N2 — CID 156544678

IUPACN-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide
SMILESC=CC/C=C(\C)CCCCN(/C=N/C)CC
InChIInChI=1S/C14H26N2/c1-5-7-10-14(3)11-8-9-12-16(6-2)13-15-4/h5,10,13H,1,6-9,11-12H2,2-4H3/b14-10+,15-13+
InChIKeyHRVNEJQERUWAGX-MRKNTEETSA-N
MW222.38 g/mol
LogP3.66
Rot. Bonds9

About N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide

N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide (PubChem CID 156544678) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide
PubChem CID156544678
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide
SMILESC=CC/C=C(\C)CCCCN(/C=N/C)CC
InChIInChI=1S/C14H26N2/c1-5-7-10-14(3)11-8-9-12-16(6-2)13-15-4/h5,10,13H,1,6-9,11-12H2,2-4H3/b14-10+,15-13+
InChIKeyHRVNEJQERUWAGX-MRKNTEETSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide?
The IUPAC name of N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide (CID 156544678) is N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide.
What is the SMILES notation for N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide?
The canonical SMILES for N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide is C=CC/C=C(\C)CCCCN(/C=N/C)CC.
What is the InChIKey of N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide?
The InChIKey is HRVNEJQERUWAGX-MRKNTEETSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-7-10-14(3)11-8-9-12-16(6-2)13-15-4/h5,10,13H,1,6-9,11-12H2,2-4H3/b14-10+,15-13+.
What are the key properties of N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide?
N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide has a molecular weight of 222.38 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N-[(5E)-5-methylnona-5,8-dienyl]methanimidamide is sourced from PubChem (CID 156544678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).