(Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide

C14H22N2 — CID 167106494

IUPAC(Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
SMILESC=C(/C=C\N=C(/N)C/C=C\C)/C(=C\C)CC
InChIInChI=1S/C14H22N2/c1-5-8-9-14(15)16-11-10-12(4)13(6-2)7-3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H2,15,16)/b8-5-,11-10-,13-6-
InChIKeyBQXNIXYLQJEBMA-XJIDXYGGSA-N
MW218.34 g/mol
LogP3.74
Rot. Bonds6

About (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide

(Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide (PubChem CID 167106494) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
PubChem CID167106494
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
SMILESC=C(/C=C\N=C(/N)C/C=C\C)/C(=C\C)CC
InChIInChI=1S/C14H22N2/c1-5-8-9-14(15)16-11-10-12(4)13(6-2)7-3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H2,15,16)/b8-5-,11-10-,13-6-
InChIKeyBQXNIXYLQJEBMA-XJIDXYGGSA-N
XLogP3.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.74
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 (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide?
The IUPAC name of (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide (CID 167106494) is (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide.
What is the SMILES notation for (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide?
The canonical SMILES for (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide is C=C(/C=C\N=C(/N)C/C=C\C)/C(=C\C)CC.
What is the InChIKey of (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide?
The InChIKey is BQXNIXYLQJEBMA-XJIDXYGGSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-8-9-14(15)16-11-10-12(4)13(6-2)7-3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H2,15,16)/b8-5-,11-10-,13-6-.
What are the key properties of (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide?
(Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide is sourced from PubChem (CID 167106494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).