N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide

C10H20N2 — CID 138709659

IUPACN'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide
SMILESCC/N=C/N/C(CC)=C(\C)CC
InChIInChI=1S/C10H20N2/c1-5-9(4)10(6-2)12-8-11-7-3/h8H,5-7H2,1-4H3,(H,11,12)/b10-9+
InChIKeyWJYHJDJPUPIFIB-MDZDMXLPSA-N
MW168.28 g/mol
LogP2.72
Rot. Bonds5

About N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide

N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide (PubChem CID 138709659) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide
PubChem CID138709659
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide
SMILESCC/N=C/N/C(CC)=C(\C)CC
InChIInChI=1S/C10H20N2/c1-5-9(4)10(6-2)12-8-11-7-3/h8H,5-7H2,1-4H3,(H,11,12)/b10-9+
InChIKeyWJYHJDJPUPIFIB-MDZDMXLPSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.72
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide?
The IUPAC name of N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide (CID 138709659) is N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide is CC/N=C/N/C(CC)=C(\C)CC.
What is the InChIKey of N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide?
The InChIKey is WJYHJDJPUPIFIB-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-9(4)10(6-2)12-8-11-7-3/h8H,5-7H2,1-4H3,(H,11,12)/b10-9+.
What are the key properties of N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide?
N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide is sourced from PubChem (CID 138709659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).