3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide

C8H16N2 — CID 146476313

IUPAC3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide
SMILESC/C=C\N=C(/N)CC(C)C
InChIInChI=1S/C8H16N2/c1-4-5-10-8(9)6-7(2)3/h4-5,7H,6H2,1-3H3,(H2,9,10)/b5-4-
InChIKeyRYNCMKZLWZGSQS-PLNGDYQASA-N
MW140.23 g/mol
LogP1.92
Rot. Bonds3

About 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide

3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide (PubChem CID 146476313) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide.

Molecular Properties

Compound Name3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide
PubChem CID146476313
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide
SMILESC/C=C\N=C(/N)CC(C)C
InChIInChI=1S/C8H16N2/c1-4-5-10-8(9)6-7(2)3/h4-5,7H,6H2,1-3H3,(H2,9,10)/b5-4-
InChIKeyRYNCMKZLWZGSQS-PLNGDYQASA-N
XLogP1.92
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 ≤ 51.92
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 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide?
The IUPAC name of 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide (CID 146476313) is 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide.
What is the SMILES notation for 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide?
The canonical SMILES for 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide is C/C=C\N=C(/N)CC(C)C.
What is the InChIKey of 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide?
The InChIKey is RYNCMKZLWZGSQS-PLNGDYQASA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-10-8(9)6-7(2)3/h4-5,7H,6H2,1-3H3,(H2,9,10)/b5-4-.
What are the key properties of 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide?
3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide is sourced from PubChem (CID 146476313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).