(3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide

C9H14N2 — CID 144503158

IUPAC(3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide
SMILESC=C/C=C(\C=C)C/C(N)=N/C
InChIInChI=1S/C9H14N2/c1-4-6-8(5-2)7-9(10)11-3/h4-6H,1-2,7H2,3H3,(H2,10,11)/b8-6+
InChIKeyKNAYFBMJFAYVCI-SOFGYWHQSA-N
MW150.22 g/mol
LogP1.66
Rot. Bonds4

About (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide

(3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide (PubChem CID 144503158) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide
PubChem CID144503158
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide
SMILESC=C/C=C(\C=C)C/C(N)=N/C
InChIInChI=1S/C9H14N2/c1-4-6-8(5-2)7-9(10)11-3/h4-6H,1-2,7H2,3H3,(H2,10,11)/b8-6+
InChIKeyKNAYFBMJFAYVCI-SOFGYWHQSA-N
XLogP1.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.66
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 (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide?
The IUPAC name of (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide (CID 144503158) is (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide.
What is the SMILES notation for (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide?
The canonical SMILES for (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide is C=C/C=C(\C=C)C/C(N)=N/C.
What is the InChIKey of (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide?
The InChIKey is KNAYFBMJFAYVCI-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-8(5-2)7-9(10)11-3/h4-6H,1-2,7H2,3H3,(H2,10,11)/b8-6+.
What are the key properties of (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide?
(3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide has a molecular weight of 150.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N'-methylhexa-3,5-dienimidamide is sourced from PubChem (CID 144503158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).