N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide

C10H20N2 — CID 139497311

IUPACN'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
SMILESCC/C=C(\CC)N/C(C)=N/CC
InChIInChI=1S/C10H20N2/c1-5-8-10(6-2)12-9(4)11-7-3/h8H,5-7H2,1-4H3,(H,11,12)/b10-8+
InChIKeyDSLOJMSXFMXEPZ-CSKARUKUSA-N
MW168.28 g/mol
LogP2.72
Rot. Bonds4

About N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide

N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide (PubChem CID 139497311) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
PubChem CID139497311
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
SMILESCC/C=C(\CC)N/C(C)=N/CC
InChIInChI=1S/C10H20N2/c1-5-8-10(6-2)12-9(4)11-7-3/h8H,5-7H2,1-4H3,(H,11,12)/b10-8+
InChIKeyDSLOJMSXFMXEPZ-CSKARUKUSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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)-hex-3-en-3-yl]ethanimidamide?
The IUPAC name of N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide (CID 139497311) is N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide.
What is the SMILES notation for N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide?
The canonical SMILES for N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide is CC/C=C(\CC)N/C(C)=N/CC.
What is the InChIKey of N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide?
The InChIKey is DSLOJMSXFMXEPZ-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-8-10(6-2)12-9(4)11-7-3/h8H,5-7H2,1-4H3,(H,11,12)/b10-8+.
What are the key properties of N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide?
N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide is sourced from PubChem (CID 139497311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).