N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide

C11H14N2 — CID 134443430

IUPACN'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide
SMILESC=C/C=C\C(=C)N/C=N/C(=C)C=C
InChIInChI=1S/C11H14N2/c1-5-7-8-11(4)13-9-12-10(3)6-2/h5-9H,1-4H2,(H,12,13)/b8-7-
InChIKeyCFNMTCIJSYNZDU-FPLPWBNLSA-N
MW174.25 g/mol
LogP2.56
Rot. Bonds6

About N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide

N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide (PubChem CID 134443430) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide
PubChem CID134443430
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide
SMILESC=C/C=C\C(=C)N/C=N/C(=C)C=C
InChIInChI=1S/C11H14N2/c1-5-7-8-11(4)13-9-12-10(3)6-2/h5-9H,1-4H2,(H,12,13)/b8-7-
InChIKeyCFNMTCIJSYNZDU-FPLPWBNLSA-N
XLogP2.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.56
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'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide?
The IUPAC name of N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide (CID 134443430) is N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide.
What is the SMILES notation for N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide?
The canonical SMILES for N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide is C=C/C=C\C(=C)N/C=N/C(=C)C=C.
What is the InChIKey of N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide?
The InChIKey is CFNMTCIJSYNZDU-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H14N2/c1-5-7-8-11(4)13-9-12-10(3)6-2/h5-9H,1-4H2,(H,12,13)/b8-7-.
What are the key properties of N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide?
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide has a molecular weight of 174.25 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide is sourced from PubChem (CID 134443430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).