(Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide

C16H26N2 — CID 126593792

IUPAC(Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide
SMILESC=C/N=C(N)/C(/C=C\C(C)C(C)C)=C(C)\C=C\C
InChIInChI=1S/C16H26N2/c1-7-9-14(6)15(16(17)18-8-2)11-10-13(5)12(3)4/h7-13H,2H2,1,3-6H3,(H2,17,18)/b9-7+,11-10-,15-14-
InChIKeyOLNUWZSKKLFIFA-OBMJAVNLSA-N
MW246.40 g/mol
LogP4.23
Rot. Bonds6

About (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide

(Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide (PubChem CID 126593792) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide.

Molecular Properties

Compound Name(Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide
PubChem CID126593792
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide
SMILESC=C/N=C(N)/C(/C=C\C(C)C(C)C)=C(C)\C=C\C
InChIInChI=1S/C16H26N2/c1-7-9-14(6)15(16(17)18-8-2)11-10-13(5)12(3)4/h7-13H,2H2,1,3-6H3,(H2,17,18)/b9-7+,11-10-,15-14-
InChIKeyOLNUWZSKKLFIFA-OBMJAVNLSA-N
XLogP4.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.23
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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Related Compounds

(E)-3-fluoro-6,6-dimethyl-2,5-dimethylidene-N'-[(Z)-prop-1-enyl]hept-3-enimidamide
CID 89016765
(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
CID 142470331
N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 142470342
(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine
CID 167098863
(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide
CID 170194613
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
CID 145143694
3-Prop-2-enylazocin-2-amine
CID 53963453
(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine
CID 67754598
(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
CID 89383546
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide?
The IUPAC name of (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide (CID 126593792) is (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide.
What is the SMILES notation for (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide?
The canonical SMILES for (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide is C=C/N=C(N)/C(/C=C\C(C)C(C)C)=C(C)\C=C\C.
What is the InChIKey of (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide?
The InChIKey is OLNUWZSKKLFIFA-OBMJAVNLSA-N. The full InChI is InChI=1S/C16H26N2/c1-7-9-14(6)15(16(17)18-8-2)11-10-13(5)12(3)4/h7-13H,2H2,1,3-6H3,(H2,17,18)/b9-7+,11-10-,15-14-.
What are the key properties of (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide?
(Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide has a molecular weight of 246.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide is sourced from PubChem (CID 126593792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).