(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide

C15H26N2 — CID 126593027

IUPAC(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide
SMILESCCC/C=C/N=C(\N)C(/C=C\C(C)C)=C(C)C
InChIInChI=1S/C15H26N2/c1-6-7-8-11-17-15(16)14(13(4)5)10-9-12(2)3/h8-12H,6-7H2,1-5H3,(H2,16,17)/b10-9-,11-8+
InChIKeyARCDUAKTXLNHBP-LMMFKTOUSA-N
MW234.39 g/mol
LogP4.21
Rot. Bonds6

About (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide

(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide (PubChem CID 126593027) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide.

Molecular Properties

Compound Name(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide
PubChem CID126593027
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide
SMILESCCC/C=C/N=C(\N)C(/C=C\C(C)C)=C(C)C
InChIInChI=1S/C15H26N2/c1-6-7-8-11-17-15(16)14(13(4)5)10-9-12(2)3/h8-12H,6-7H2,1-5H3,(H2,16,17)/b10-9-,11-8+
InChIKeyARCDUAKTXLNHBP-LMMFKTOUSA-N
XLogP4.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.21
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
(2E,3Z,5Z)-2-(1-aminoethylidene)-N'-ethenyl-3-fluoro-5-methylhepta-3,5-dienimidamide
CID 173671358
(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
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
CID 89383546

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide?
The IUPAC name of (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide (CID 126593027) is (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide.
What is the SMILES notation for (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide?
The canonical SMILES for (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide is CCC/C=C/N=C(\N)C(/C=C\C(C)C)=C(C)C.
What is the InChIKey of (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide?
The InChIKey is ARCDUAKTXLNHBP-LMMFKTOUSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-7-8-11-17-15(16)14(13(4)5)10-9-12(2)3/h8-12H,6-7H2,1-5H3,(H2,16,17)/b10-9-,11-8+.
What are the key properties of (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide?
(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide has a molecular weight of 234.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide is sourced from PubChem (CID 126593027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).