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

C11H16N2 — CID 139435496

IUPACN'-but-3-en-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/C11H16N2/c1-5-7-8-11(4)13-9-12-10(3)6-2/h5-10H,1-2,4H2,3H3,(H,12,13)/b8-7-
InChIKeyUOCXSJMICWXVJQ-FPLPWBNLSA-N
MW176.26 g/mol
LogP2.43
Rot. Bonds6

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

N'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide (PubChem CID 139435496) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide
PubChem CID139435496
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-but-3-en-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/C11H16N2/c1-5-7-8-11(4)13-9-12-10(3)6-2/h5-10H,1-2,4H2,3H3,(H,12,13)/b8-7-
InChIKeyUOCXSJMICWXVJQ-FPLPWBNLSA-N
XLogP2.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.43
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': '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'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide?
The IUPAC name of N'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide (CID 139435496) is N'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide.
What is the SMILES notation for N'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide?
The canonical SMILES for N'-but-3-en-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'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide?
The InChIKey is UOCXSJMICWXVJQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-7-8-11(4)13-9-12-10(3)6-2/h5-10H,1-2,4H2,3H3,(H,12,13)/b8-7-.
What are the key properties of N'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide?
N'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-en-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide is sourced from PubChem (CID 139435496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).