N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide

C9H16N2 — CID 139387528

IUPACN'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide
SMILESC/C=C(C)/C(C)=C/N=C(\C)N
InChIInChI=1S/C9H16N2/c1-5-7(2)8(3)6-11-9(4)10/h5-6H,1-4H3,(H2,10,11)/b7-5+,8-6+
InChIKeyZFPOLCJTNBJWIR-KQQUZDAGSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds2

About N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide

N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide (PubChem CID 139387528) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide
PubChem CID139387528
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide
SMILESC/C=C(C)/C(C)=C/N=C(\C)N
InChIInChI=1S/C9H16N2/c1-5-7(2)8(3)6-11-9(4)10/h5-6H,1-4H3,(H2,10,11)/b7-5+,8-6+
InChIKeyZFPOLCJTNBJWIR-KQQUZDAGSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide (CID 139387528) is N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide is C/C=C(C)/C(C)=C/N=C(\C)N.
What is the InChIKey of N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide?
The InChIKey is ZFPOLCJTNBJWIR-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7(2)8(3)6-11-9(4)10/h5-6H,1-4H3,(H2,10,11)/b7-5+,8-6+.
What are the key properties of N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide?
N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 139387528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).