N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide

C14H26N2 — CID 134396140

IUPACN'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide
SMILESC/C=C\C(=C/N=C(\N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26N2/c1-8-9-11(13(2,3)4)10-16-12(15)14(5,6)7/h8-10H,1-7H3,(H2,15,16)/b9-8-,11-10+
InChIKeyOZLAAAVDBHMQSU-QNRZBPGKSA-N
MW222.38 g/mol
LogP3.90
Rot. Bonds2

About N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide

N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide (PubChem CID 134396140) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide
PubChem CID134396140
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide
SMILESC/C=C\C(=C/N=C(\N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26N2/c1-8-9-11(13(2,3)4)10-16-12(15)14(5,6)7/h8-10H,1-7H3,(H2,15,16)/b9-8-,11-10+
InChIKeyOZLAAAVDBHMQSU-QNRZBPGKSA-N
XLogP3.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.90
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'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide (CID 134396140) is N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide is C/C=C\C(=C/N=C(\N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The InChIKey is OZLAAAVDBHMQSU-QNRZBPGKSA-N. The full InChI is InChI=1S/C14H26N2/c1-8-9-11(13(2,3)4)10-16-12(15)14(5,6)7/h8-10H,1-7H3,(H2,15,16)/b9-8-,11-10+.
What are the key properties of N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide?
N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide has a molecular weight of 222.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 134396140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).