N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide

C9H16N2 — CID 89170099

IUPACN'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide
SMILESC=C/C=C\N=C(/N)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-5-6-7-11-8(10)9(2,3)4/h5-7H,1H2,2-4H3,(H2,10,11)/b7-6-
InChIKeyJZEWHOCRVNGGOC-SREVYHEPSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds2

About N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide

N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide (PubChem CID 89170099) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide
PubChem CID89170099
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide
SMILESC=C/C=C\N=C(/N)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-5-6-7-11-8(10)9(2,3)4/h5-7H,1H2,2-4H3,(H2,10,11)/b7-6-
InChIKeyJZEWHOCRVNGGOC-SREVYHEPSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
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'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide (CID 89170099) is N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide is C=C/C=C\N=C(/N)C(C)(C)C.
What is the InChIKey of N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The InChIKey is JZEWHOCRVNGGOC-SREVYHEPSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-7-11-8(10)9(2,3)4/h5-7H,1H2,2-4H3,(H2,10,11)/b7-6-.
What are the key properties of N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide?
N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 89170099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).