N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane

C12H26N2 — CID 145001615

IUPACN-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane
SMILESCC.CC.[H]/N=C(\C=C)N(C)/C=C\CC
InChIInChI=1S/C8H14N2.2C2H6/c1-4-6-7-10(3)8(9)5-2;2*1-2/h5-7,9H,2,4H2,1,3H3;2*1-2H3/b7-6-,9-8+;;
InChIKeyQHCAWTRCANHGSZ-YDFFBLRRSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds3

About N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane

N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane (PubChem CID 145001615) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane
PubChem CID145001615
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane
SMILESCC.CC.[H]/N=C(\C=C)N(C)/C=C\CC
InChIInChI=1S/C8H14N2.2C2H6/c1-4-6-7-10(3)8(9)5-2;2*1-2/h5-7,9H,2,4H2,1,3H3;2*1-2H3/b7-6-,9-8+;;
InChIKeyQHCAWTRCANHGSZ-YDFFBLRRSA-N
XLogP4.06
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.06
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-methylprop-2-enimidamide;ethane?
The IUPAC name of N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane (CID 145001615) is N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane?
The canonical SMILES for N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane is CC.CC.[H]/N=C(\C=C)N(C)/C=C\CC.
What is the InChIKey of N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane?
The InChIKey is QHCAWTRCANHGSZ-YDFFBLRRSA-N. The full InChI is InChI=1S/C8H14N2.2C2H6/c1-4-6-7-10(3)8(9)5-2;2*1-2/h5-7,9H,2,4H2,1,3H3;2*1-2H3/b7-6-,9-8+;;.
What are the key properties of N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane?
N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane has a molecular weight of 198.35 g/mol, XLogP of 4.06, 3 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-methylprop-2-enimidamide;ethane is sourced from PubChem (CID 145001615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).