N-ethenyl-N'-propan-2-ylpropanimidamide

C8H16N2 — CID 123604400

IUPACN-ethenyl-N'-propan-2-ylpropanimidamide
SMILESC=CN/C(CC)=N/C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(9-6-2)10-7(3)4/h6-7H,2,5H2,1,3-4H3,(H,9,10)
InChIKeyAAZNDBGMGRIQTN-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds3

About N-ethenyl-N'-propan-2-ylpropanimidamide

N-ethenyl-N'-propan-2-ylpropanimidamide (PubChem CID 123604400) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethenyl-N'-propan-2-ylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-propan-2-ylpropanimidamide
PubChem CID123604400
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethenyl-N'-propan-2-ylpropanimidamide
SMILESC=CN/C(CC)=N/C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(9-6-2)10-7(3)4/h6-7H,2,5H2,1,3-4H3,(H,9,10)
InChIKeyAAZNDBGMGRIQTN-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.94
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'}

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Related Compounds

3-methyl-2-[(3-methyl-1H-imidazole-1,3-diium-2-yl)methyl]-1H-imidazole-1,3-diium
CID 20776929
1,2-di(propan-2-yl)-1H-imidazol-1-ium chloride
CID 68424231
1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride
CID 86652314
(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
CID 88885474
N-ethenyl-N',2-dimethylpropanimidamide
CID 89040593
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
N-ethenyl-N'-methylpropanimidamide
CID 91077159
N-ethenyl-N'-methylhexanimidamide
CID 91275682
N-[(1E)-buta-1,3-dienyl]-N'-methylpropanimidamide
CID 118486678
N-ethenyl-N'-propan-2-ylethanimidamide
CID 123229042
N'-butan-2-yl-N-ethenylcyclopropanecarboximidamide
CID 123342837
N-ethenyl-N'-methyl-2-(propylamino)propanimidamide
CID 123518067

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-propan-2-ylpropanimidamide?
The IUPAC name of N-ethenyl-N'-propan-2-ylpropanimidamide (CID 123604400) is N-ethenyl-N'-propan-2-ylpropanimidamide.
What is the SMILES notation for N-ethenyl-N'-propan-2-ylpropanimidamide?
The canonical SMILES for N-ethenyl-N'-propan-2-ylpropanimidamide is C=CN/C(CC)=N/C(C)C.
What is the InChIKey of N-ethenyl-N'-propan-2-ylpropanimidamide?
The InChIKey is AAZNDBGMGRIQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(9-6-2)10-7(3)4/h6-7H,2,5H2,1,3-4H3,(H,9,10).
What are the key properties of N-ethenyl-N'-propan-2-ylpropanimidamide?
N-ethenyl-N'-propan-2-ylpropanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-propan-2-ylpropanimidamide is sourced from PubChem (CID 123604400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).