N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide

C11H22N2 — CID 89335896

IUPACN'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide
SMILESCCCC/C(C)=C(\C)N/C(C)=N/C
InChIInChI=1S/C11H22N2/c1-6-7-8-9(2)10(3)13-11(4)12-5/h6-8H2,1-5H3,(H,12,13)/b10-9+
InChIKeyBROILGUCRSIPAW-MDZDMXLPSA-N
MW182.31 g/mol
LogP3.11
Rot. Bonds4

About N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide

N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide (PubChem CID 89335896) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide
PubChem CID89335896
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide
SMILESCCCC/C(C)=C(\C)N/C(C)=N/C
InChIInChI=1S/C11H22N2/c1-6-7-8-9(2)10(3)13-11(4)12-5/h6-8H2,1-5H3,(H,12,13)/b10-9+
InChIKeyBROILGUCRSIPAW-MDZDMXLPSA-N
XLogP3.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.11
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'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide (CID 89335896) is N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide is CCCC/C(C)=C(\C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide?
The InChIKey is BROILGUCRSIPAW-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-8-9(2)10(3)13-11(4)12-5/h6-8H2,1-5H3,(H,12,13)/b10-9+.
What are the key properties of N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide?
N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 89335896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).