4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide

C15H26N2 — CID 134225126

IUPAC4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide
SMILESC=CC(CC)C(C)C/C(N)=N/C(=C)/C=C\CC
InChIInChI=1S/C15H26N2/c1-6-9-10-13(5)17-15(16)11-12(4)14(7-2)8-3/h7,9-10,12,14H,2,5-6,8,11H2,1,3-4H3,(H2,16,17)/b10-9-
InChIKeyYWKNWRROXNRPOY-KTKRTIGZSA-N
MW234.39 g/mol
LogP4.06
Rot. Bonds8

About 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide

4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide (PubChem CID 134225126) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide.

Molecular Properties

Compound Name4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide
PubChem CID134225126
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide
SMILESC=CC(CC)C(C)C/C(N)=N/C(=C)/C=C\CC
InChIInChI=1S/C15H26N2/c1-6-9-10-13(5)17-15(16)11-12(4)14(7-2)8-3/h7,9-10,12,14H,2,5-6,8,11H2,1,3-4H3,(H2,16,17)/b10-9-
InChIKeyYWKNWRROXNRPOY-KTKRTIGZSA-N
XLogP4.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.06
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 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide?
The IUPAC name of 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide (CID 134225126) is 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide.
What is the SMILES notation for 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide?
The canonical SMILES for 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide is C=CC(CC)C(C)C/C(N)=N/C(=C)/C=C\CC.
What is the InChIKey of 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide?
The InChIKey is YWKNWRROXNRPOY-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-9-10-13(5)17-15(16)11-12(4)14(7-2)8-3/h7,9-10,12,14H,2,5-6,8,11H2,1,3-4H3,(H2,16,17)/b10-9-.
What are the key properties of 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide?
4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide has a molecular weight of 234.39 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide is sourced from PubChem (CID 134225126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).