N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide

C13H24N2 — CID 146281476

IUPACN'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide
SMILESC=C(/C=C\CC)/N=C(\N)C(C)C(C)CC
InChIInChI=1S/C13H24N2/c1-6-8-9-11(4)15-13(14)12(5)10(3)7-2/h8-10,12H,4,6-7H2,1-3,5H3,(H2,14,15)/b9-8-
InChIKeyJUHPOPVJSQMQGS-HJWRWDBZSA-N
MW208.35 g/mol
LogP3.51
Rot. Bonds6

About N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide

N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide (PubChem CID 146281476) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide
PubChem CID146281476
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide
SMILESC=C(/C=C\CC)/N=C(\N)C(C)C(C)CC
InChIInChI=1S/C13H24N2/c1-6-8-9-11(4)15-13(14)12(5)10(3)7-2/h8-10,12H,4,6-7H2,1-3,5H3,(H2,14,15)/b9-8-
InChIKeyJUHPOPVJSQMQGS-HJWRWDBZSA-N
XLogP3.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide?
The IUPAC name of N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide (CID 146281476) is N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide.
What is the SMILES notation for N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide?
The canonical SMILES for N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide is C=C(/C=C\CC)/N=C(\N)C(C)C(C)CC.
What is the InChIKey of N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide?
The InChIKey is JUHPOPVJSQMQGS-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-8-9-11(4)15-13(14)12(5)10(3)7-2/h8-10,12H,4,6-7H2,1-3,5H3,(H2,14,15)/b9-8-.
What are the key properties of N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide?
N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide is sourced from PubChem (CID 146281476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).