(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide

C10H16N2 — CID 91013982

IUPAC(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide
SMILESC/C=C\C(N)=N\C=C/C=CCC
InChIInChI=1S/C10H16N2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-9H,3H2,1-2H3,(H2,11,12)/b6-5?,8-4-,9-7-
InChIKeyCZKNARCANZDZKJ-PIBSYEMCSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds4

About (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide

(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide (PubChem CID 91013982) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide
PubChem CID91013982
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide
SMILESC/C=C\C(N)=N\C=C/C=CCC
InChIInChI=1S/C10H16N2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-9H,3H2,1-2H3,(H2,11,12)/b6-5?,8-4-,9-7-
InChIKeyCZKNARCANZDZKJ-PIBSYEMCSA-N
XLogP2.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
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 (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide?
The IUPAC name of (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide (CID 91013982) is (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide?
The canonical SMILES for (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide is C/C=C\C(N)=N\C=C/C=CCC.
What is the InChIKey of (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide?
The InChIKey is CZKNARCANZDZKJ-PIBSYEMCSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-9H,3H2,1-2H3,(H2,11,12)/b6-5?,8-4-,9-7-.
What are the key properties of (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide?
(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide is sourced from PubChem (CID 91013982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).