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

C9H18N2 — CID 170284415

IUPACN-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide
SMILESC=CN/C(=N/C(C)C)C(C)C
InChIInChI=1S/C9H18N2/c1-6-10-9(7(2)3)11-8(4)5/h6-8H,1H2,2-5H3,(H,10,11)
InChIKeyOBJDXJFQEYYEGV-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.18
Rot. Bonds3

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

N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide (PubChem CID 170284415) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide
PubChem CID170284415
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide
SMILESC=CN/C(=N/C(C)C)C(C)C
InChIInChI=1S/C9H18N2/c1-6-10-9(7(2)3)11-8(4)5/h6-8H,1H2,2-5H3,(H,10,11)
InChIKeyOBJDXJFQEYYEGV-UHFFFAOYSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide?
The IUPAC name of N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide (CID 170284415) is N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide.
What is the SMILES notation for N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide?
The canonical SMILES for N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide is C=CN/C(=N/C(C)C)C(C)C.
What is the InChIKey of N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide?
The InChIKey is OBJDXJFQEYYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-10-9(7(2)3)11-8(4)5/h6-8H,1H2,2-5H3,(H,10,11).
What are the key properties of N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide?
N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide is sourced from PubChem (CID 170284415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).