(Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide

C14H21N3 — CID 176523288

IUPAC(Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide
SMILES[H]/N=C(C)/C(CC)=C(/C=C)NC(/C=C\C)=N/C=C
InChIInChI=1S/C14H21N3/c1-6-10-14(16-9-4)17-13(8-3)12(7-2)11(5)15/h6,8-10,15H,3-4,7H2,1-2,5H3,(H,16,17)/b10-6-,13-12-,15-11+
InChIKeyRHTHKOCSCCIDFR-PSEFUVBQSA-N
MW231.34 g/mol
LogP3.58
Rot. Bonds6

About (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide

(Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide (PubChem CID 176523288) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide
PubChem CID176523288
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide
SMILES[H]/N=C(C)/C(CC)=C(/C=C)NC(/C=C\C)=N/C=C
InChIInChI=1S/C14H21N3/c1-6-10-14(16-9-4)17-13(8-3)12(7-2)11(5)15/h6,8-10,15H,3-4,7H2,1-2,5H3,(H,16,17)/b10-6-,13-12-,15-11+
InChIKeyRHTHKOCSCCIDFR-PSEFUVBQSA-N
XLogP3.58
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine
CID 126639572
N-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]cycloheptane-1-carboxamide
CID 146515958
N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide
CID 176545674
(5Z)-N-ethenyl-2-methylhepta-2,5-dien-4-imine
CID 143053895
(Z)-N-ethenylnon-2-en-4-imine
CID 144801095
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
3-ethenyl-5-methylhepta-3,5-dien-2-imine
CID 90864895
(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine
CID 144635572
(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 129035901
N-[(Z)-but-2-enimidoyl]butanamide
CID 174076427
3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide?
The IUPAC name of (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide (CID 176523288) is (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide.
What is the SMILES notation for (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide?
The canonical SMILES for (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide is [H]/N=C(C)/C(CC)=C(/C=C)NC(/C=C\C)=N/C=C.
What is the InChIKey of (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide?
The InChIKey is RHTHKOCSCCIDFR-PSEFUVBQSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-10-14(16-9-4)17-13(8-3)12(7-2)11(5)15/h6,8-10,15H,3-4,7H2,1-2,5H3,(H,16,17)/b10-6-,13-12-,15-11+.
What are the key properties of (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide?
(Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide has a molecular weight of 231.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide is sourced from PubChem (CID 176523288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).