N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide

C8H16N2 — CID 134381071

IUPACN-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide
SMILESCC/C=C\N(/C=N/C)CC
InChIInChI=1S/C8H16N2/c1-4-6-7-10(5-2)8-9-3/h6-8H,4-5H2,1-3H3/b7-6-,9-8+
InChIKeyIRTNRIPPJLOXEN-NMMTYZSQSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds4

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

N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide (PubChem CID 134381071) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide
PubChem CID134381071
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide
SMILESCC/C=C\N(/C=N/C)CC
InChIInChI=1S/C8H16N2/c1-4-6-7-10(5-2)8-9-3/h6-8H,4-5H2,1-3H3/b7-6-,9-8+
InChIKeyIRTNRIPPJLOXEN-NMMTYZSQSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
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-ethyl-N'-methylmethanimidamide?
The IUPAC name of N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide (CID 134381071) is N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide?
The canonical SMILES for N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide is CC/C=C\N(/C=N/C)CC.
What is the InChIKey of N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide?
The InChIKey is IRTNRIPPJLOXEN-NMMTYZSQSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-6-7-10(5-2)8-9-3/h6-8H,4-5H2,1-3H3/b7-6-,9-8+.
What are the key properties of N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide?
N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-N-ethyl-N'-methylmethanimidamide is sourced from PubChem (CID 134381071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).