2-methyl-N'-prop-2-enylbutanimidamide

C8H16N2 — CID 87877522

IUPAC2-methyl-N'-prop-2-enylbutanimidamide
SMILESC=CC/N=C(\N)C(C)CC
InChIInChI=1S/C8H16N2/c1-4-6-10-8(9)7(3)5-2/h4,7H,1,5-6H2,2-3H3,(H2,9,10)
InChIKeyHEXBNVGRURYOBW-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-N'-prop-2-enylbutanimidamide

2-methyl-N'-prop-2-enylbutanimidamide (PubChem CID 87877522) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-N'-prop-2-enylbutanimidamide.

Molecular Properties

Compound Name2-methyl-N'-prop-2-enylbutanimidamide
PubChem CID87877522
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-N'-prop-2-enylbutanimidamide
SMILESC=CC/N=C(\N)C(C)CC
InChIInChI=1S/C8H16N2/c1-4-6-10-8(9)7(3)5-2/h4,7H,1,5-6H2,2-3H3,(H2,9,10)
InChIKeyHEXBNVGRURYOBW-UHFFFAOYSA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-prop-2-enylbutanimidamide?
The IUPAC name of 2-methyl-N'-prop-2-enylbutanimidamide (CID 87877522) is 2-methyl-N'-prop-2-enylbutanimidamide.
What is the SMILES notation for 2-methyl-N'-prop-2-enylbutanimidamide?
The canonical SMILES for 2-methyl-N'-prop-2-enylbutanimidamide is C=CC/N=C(\N)C(C)CC.
What is the InChIKey of 2-methyl-N'-prop-2-enylbutanimidamide?
The InChIKey is HEXBNVGRURYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-6-10-8(9)7(3)5-2/h4,7H,1,5-6H2,2-3H3,(H2,9,10).
What are the key properties of 2-methyl-N'-prop-2-enylbutanimidamide?
2-methyl-N'-prop-2-enylbutanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-prop-2-enylbutanimidamide is sourced from PubChem (CID 87877522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).