(3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide

C12H18N2 — CID 142470340

IUPAC(3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide
SMILESC=CC/C=C\C(=C(C)C)/C(N)=N/C=C
InChIInChI=1S/C12H18N2/c1-5-7-8-9-11(10(3)4)12(13)14-6-2/h5-6,8-9H,1-2,7H2,3-4H3,(H2,13,14)/b9-8-
InChIKeyYNAXUMUIDOHPLN-HJWRWDBZSA-N
MW190.29 g/mol
LogP2.96
Rot. Bonds5

About (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide

(3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide (PubChem CID 142470340) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide.

Molecular Properties

Compound Name(3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide
PubChem CID142470340
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide
SMILESC=CC/C=C\C(=C(C)C)/C(N)=N/C=C
InChIInChI=1S/C12H18N2/c1-5-7-8-9-11(10(3)4)12(13)14-6-2/h5-6,8-9H,1-2,7H2,3-4H3,(H2,13,14)/b9-8-
InChIKeyYNAXUMUIDOHPLN-HJWRWDBZSA-N
XLogP2.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.96
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 (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide?
The IUPAC name of (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide (CID 142470340) is (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide.
What is the SMILES notation for (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide?
The canonical SMILES for (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide is C=CC/C=C\C(=C(C)C)/C(N)=N/C=C.
What is the InChIKey of (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide?
The InChIKey is YNAXUMUIDOHPLN-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-7-8-9-11(10(3)4)12(13)14-6-2/h5-6,8-9H,1-2,7H2,3-4H3,(H2,13,14)/b9-8-.
What are the key properties of (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide?
(3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N'-ethenyl-2-propan-2-ylidenehepta-3,6-dienimidamide is sourced from PubChem (CID 142470340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).