N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide

C8H16N2 — CID 138527588

IUPACN-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
SMILESC/C=C(/C)N/C(CC)=N/C
InChIInChI=1S/C8H16N2/c1-5-7(3)10-8(6-2)9-4/h5H,6H2,1-4H3,(H,9,10)/b7-5-
InChIKeyPZLIHIRDLXJNIH-ALCCZGGFSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide

N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide (PubChem CID 138527588) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
PubChem CID138527588
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
SMILESC/C=C(/C)N/C(CC)=N/C
InChIInChI=1S/C8H16N2/c1-5-7(3)10-8(6-2)9-4/h5H,6H2,1-4H3,(H,9,10)/b7-5-
InChIKeyPZLIHIRDLXJNIH-ALCCZGGFSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide (CID 138527588) is N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide is C/C=C(/C)N/C(CC)=N/C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide?
The InChIKey is PZLIHIRDLXJNIH-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-7(3)10-8(6-2)9-4/h5H,6H2,1-4H3,(H,9,10)/b7-5-.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide?
N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide is sourced from PubChem (CID 138527588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).