2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide

C13H24N2 — CID 586884

IUPAC2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide
SMILES[H]/N=C(\N)C(C)(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C13H24N2/c1-10(2)6-8-13(5,12(14)15)9-7-11(3)4/h6-7H,8-9H2,1-5H3,(H3,14,15)
InChIKeyPJJAPHSITICUIC-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.64
Rot. Bonds5

About 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide

2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide (PubChem CID 586884) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide.

Molecular Properties

Compound Name2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide
PubChem CID586884
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide
SMILES[H]/N=C(\N)C(C)(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C13H24N2/c1-10(2)6-8-13(5,12(14)15)9-7-11(3)4/h6-7H,8-9H2,1-5H3,(H3,14,15)
InChIKeyPJJAPHSITICUIC-UHFFFAOYSA-N
XLogP3.64
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide?
The IUPAC name of 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide (CID 586884) is 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide.
What is the SMILES notation for 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide?
The canonical SMILES for 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide is [H]/N=C(\N)C(C)(CC=C(C)C)CC=C(C)C.
What is the InChIKey of 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide?
The InChIKey is PJJAPHSITICUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)6-8-13(5,12(14)15)9-7-11(3)4/h6-7H,8-9H2,1-5H3,(H3,14,15).
What are the key properties of 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide?
2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enimidamide is sourced from PubChem (CID 586884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).