2-methylidene-N'-propan-2-ylbutanimidamide

C8H16N2 — CID 123621247

IUPAC2-methylidene-N'-propan-2-ylbutanimidamide
SMILESC=C(CC)/C(N)=N/C(C)C
InChIInChI=1S/C8H16N2/c1-5-7(4)8(9)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyRLKDKXJSKHGACH-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds3

About 2-methylidene-N'-propan-2-ylbutanimidamide

2-methylidene-N'-propan-2-ylbutanimidamide (PubChem CID 123621247) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methylidene-N'-propan-2-ylbutanimidamide.

Molecular Properties

Compound Name2-methylidene-N'-propan-2-ylbutanimidamide
PubChem CID123621247
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methylidene-N'-propan-2-ylbutanimidamide
SMILESC=C(CC)/C(N)=N/C(C)C
InChIInChI=1S/C8H16N2/c1-5-7(4)8(9)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyRLKDKXJSKHGACH-UHFFFAOYSA-N
XLogP1.72
TPSA38.38 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 ≤ 51.72
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 2-methylidene-N'-propan-2-ylbutanimidamide?
The IUPAC name of 2-methylidene-N'-propan-2-ylbutanimidamide (CID 123621247) is 2-methylidene-N'-propan-2-ylbutanimidamide.
What is the SMILES notation for 2-methylidene-N'-propan-2-ylbutanimidamide?
The canonical SMILES for 2-methylidene-N'-propan-2-ylbutanimidamide is C=C(CC)/C(N)=N/C(C)C.
What is the InChIKey of 2-methylidene-N'-propan-2-ylbutanimidamide?
The InChIKey is RLKDKXJSKHGACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-7(4)8(9)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 2-methylidene-N'-propan-2-ylbutanimidamide?
2-methylidene-N'-propan-2-ylbutanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N'-propan-2-ylbutanimidamide is sourced from PubChem (CID 123621247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).