N-[(Z)-but-1-enyl]-N'-methylethanimidamide

C7H14N2 — CID 89347354

IUPACN-[(Z)-but-1-enyl]-N'-methylethanimidamide
SMILESCC/C=C\N/C(C)=N/C
InChIInChI=1S/C7H14N2/c1-4-5-6-9-7(2)8-3/h5-6H,4H2,1-3H3,(H,8,9)/b6-5-
InChIKeyMONFANHRIQZJDE-WAYWQWQTSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds2

About N-[(Z)-but-1-enyl]-N'-methylethanimidamide

N-[(Z)-but-1-enyl]-N'-methylethanimidamide (PubChem CID 89347354) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N'-methylethanimidamide
PubChem CID89347354
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(Z)-but-1-enyl]-N'-methylethanimidamide
SMILESCC/C=C\N/C(C)=N/C
InChIInChI=1S/C7H14N2/c1-4-5-6-9-7(2)8-3/h5-6H,4H2,1-3H3,(H,8,9)/b6-5-
InChIKeyMONFANHRIQZJDE-WAYWQWQTSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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-1-enyl]-N'-methylethanimidamide?
The IUPAC name of N-[(Z)-but-1-enyl]-N'-methylethanimidamide (CID 89347354) is N-[(Z)-but-1-enyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(Z)-but-1-enyl]-N'-methylethanimidamide is CC/C=C\N/C(C)=N/C.
What is the InChIKey of N-[(Z)-but-1-enyl]-N'-methylethanimidamide?
The InChIKey is MONFANHRIQZJDE-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-6-9-7(2)8-3/h5-6H,4H2,1-3H3,(H,8,9)/b6-5-.
What are the key properties of N-[(Z)-but-1-enyl]-N'-methylethanimidamide?
N-[(Z)-but-1-enyl]-N'-methylethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-N'-methylethanimidamide is sourced from PubChem (CID 89347354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).