N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide

C7H12N2 — CID 129029765

IUPACN'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide
SMILESC/C=C\C=C/N=C(\C)N
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7(2)8/h3-6H,1-2H3,(H2,8,9)/b4-3-,6-5-
InChIKeyXBSWCCIINCMVLY-OUPQRBNQSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

About N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide

N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide (PubChem CID 129029765) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide
PubChem CID129029765
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide
SMILESC/C=C\C=C/N=C(\C)N
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7(2)8/h3-6H,1-2H3,(H2,8,9)/b4-3-,6-5-
InChIKeyXBSWCCIINCMVLY-OUPQRBNQSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
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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Related Compounds

3H-pyridin-3-id-6-amine
CID 134839827
(E)-N'-ethenyl-3-fluorobut-2-enimidamide
CID 142337031
N'-[(E)-pent-1-enyl]ethanimidamide
CID 57091878
N'-[(1E)-2-chlorobuta-1,3-dienyl]ethanimidamide
CID 88276200
N'-[(1Z)-buta-1,3-dienyl]ethanimidamide
CID 88888743
N'-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 88943771
N'-[(1Z)-buta-1,3-dienyl]propanimidamide
CID 89008112
(2Z)-N'-methylhexa-2,4-dienimidamide
CID 89017380
(Z)-N'-ethenylbut-2-enimidamide
CID 89082386
N'-[(1Z)-buta-1,3-dienyl]-2-methylpropanimidamide
CID 89140157
N'-[(Z)-but-1-enyl]ethanimidamide
CID 89322230
N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
CID 89357801

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide (CID 129029765) is N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide is C/C=C\C=C/N=C(\C)N.
What is the InChIKey of N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide?
The InChIKey is XBSWCCIINCMVLY-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-5-6-9-7(2)8/h3-6H,1-2H3,(H2,8,9)/b4-3-,6-5-.
What are the key properties of N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide?
N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 129029765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).