N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide

C9H16N2 — CID 154967938

IUPACN'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
SMILESC=C/C=C(\CC)N/C=N/CC
InChIInChI=1S/C9H16N2/c1-4-7-9(5-2)11-8-10-6-3/h4,7-8H,1,5-6H2,2-3H3,(H,10,11)/b9-7+
InChIKeyXYHZAXZCRMDAPS-VQHVLOKHSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds5

About N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide

N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide (PubChem CID 154967938) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
PubChem CID154967938
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
SMILESC=C/C=C(\CC)N/C=N/CC
InChIInChI=1S/C9H16N2/c1-4-7-9(5-2)11-8-10-6-3/h4,7-8H,1,5-6H2,2-3H3,(H,10,11)/b9-7+
InChIKeyXYHZAXZCRMDAPS-VQHVLOKHSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide?
The IUPAC name of N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide (CID 154967938) is N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide is C=C/C=C(\CC)N/C=N/CC.
What is the InChIKey of N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide?
The InChIKey is XYHZAXZCRMDAPS-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-7-9(5-2)11-8-10-6-3/h4,7-8H,1,5-6H2,2-3H3,(H,10,11)/b9-7+.
What are the key properties of N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide?
N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide is sourced from PubChem (CID 154967938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).