N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide

C11H22N2 — CID 59072729

IUPACN'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide
SMILESC/C(=C\CCC(C)C)C/N=C(\C)N
InChIInChI=1S/C11H22N2/c1-9(2)6-5-7-10(3)8-13-11(4)12/h7,9H,5-6,8H2,1-4H3,(H2,12,13)/b10-7+
InChIKeyRFLIJINAODNHCP-JXMROGBWSA-N
MW182.31 g/mol
LogP2.75
Rot. Bonds5

About N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide

N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide (PubChem CID 59072729) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide
PubChem CID59072729
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide
SMILESC/C(=C\CCC(C)C)C/N=C(\C)N
InChIInChI=1S/C11H22N2/c1-9(2)6-5-7-10(3)8-13-11(4)12/h7,9H,5-6,8H2,1-4H3,(H2,12,13)/b10-7+
InChIKeyRFLIJINAODNHCP-JXMROGBWSA-N
XLogP2.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.75
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide (CID 59072729) is N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide is C/C(=C\CCC(C)C)C/N=C(\C)N.
What is the InChIKey of N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide?
The InChIKey is RFLIJINAODNHCP-JXMROGBWSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)6-5-7-10(3)8-13-11(4)12/h7,9H,5-6,8H2,1-4H3,(H2,12,13)/b10-7+.
What are the key properties of N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide?
N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide is sourced from PubChem (CID 59072729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).