N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide

C11H23N3 — CID 59898084

IUPACN'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide
SMILESC/C(=C\C(C)(C)N)CCC/N=C(\C)N
InChIInChI=1S/C11H23N3/c1-9(8-11(3,4)13)6-5-7-14-10(2)12/h8H,5-7,13H2,1-4H3,(H2,12,14)/b9-8+
InChIKeyATTKQRFQEOGPHK-CMDGGOBGSA-N
MW197.33 g/mol
LogP1.83
Rot. Bonds5

About N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide

N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide (PubChem CID 59898084) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide
PubChem CID59898084
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide
SMILESC/C(=C\C(C)(C)N)CCC/N=C(\C)N
InChIInChI=1S/C11H23N3/c1-9(8-11(3,4)13)6-5-7-14-10(2)12/h8H,5-7,13H2,1-4H3,(H2,12,14)/b9-8+
InChIKeyATTKQRFQEOGPHK-CMDGGOBGSA-N
XLogP1.83
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide (CID 59898084) is N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide is C/C(=C\C(C)(C)N)CCC/N=C(\C)N.
What is the InChIKey of N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide?
The InChIKey is ATTKQRFQEOGPHK-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(8-11(3,4)13)6-5-7-14-10(2)12/h8H,5-7,13H2,1-4H3,(H2,12,14)/b9-8+.
What are the key properties of N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide?
N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide is sourced from PubChem (CID 59898084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).