N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide

C12H20N2 — CID 170254205

IUPACN-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide
SMILESC=C(/C=C\CC)N/C=N/CC/C=C\C
InChIInChI=1S/C12H20N2/c1-4-6-8-10-13-11-14-12(3)9-7-5-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,13,14)/b6-4-,9-7-
InChIKeyZYGLVDZITIIHBP-PJPBHMPJSA-N
MW192.31 g/mol
LogP3.05
Rot. Bonds7

About N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide

N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide (PubChem CID 170254205) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide.

Molecular Properties

Compound NameN-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide
PubChem CID170254205
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide
SMILESC=C(/C=C\CC)N/C=N/CC/C=C\C
InChIInChI=1S/C12H20N2/c1-4-6-8-10-13-11-14-12(3)9-7-5-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,13,14)/b6-4-,9-7-
InChIKeyZYGLVDZITIIHBP-PJPBHMPJSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide?
The IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide (CID 170254205) is N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide.
What is the SMILES notation for N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide?
The canonical SMILES for N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide is C=C(/C=C\CC)N/C=N/CC/C=C\C.
What is the InChIKey of N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide?
The InChIKey is ZYGLVDZITIIHBP-PJPBHMPJSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-8-10-13-11-14-12(3)9-7-5-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,13,14)/b6-4-,9-7-.
What are the key properties of N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide?
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide has a molecular weight of 192.31 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(Z)-pent-3-enyl]methanimidamide is sourced from PubChem (CID 170254205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).