N-[(E)-but-2-en-2-yl]methanimine;ethane

C7H15N — CID 172575931

IUPACN-[(E)-but-2-en-2-yl]methanimine;ethane
SMILESC=N/C(C)=C/C.CC
InChIInChI=1S/C5H9N.C2H6/c1-4-5(2)6-3;1-2/h4H,3H2,1-2H3;1-2H3/b5-4+;
InChIKeyAUTUHLLQFGANTP-FXRZFVDSSA-N
MW113.20 g/mol
LogP2.64
Rot. Bonds1

About N-[(E)-but-2-en-2-yl]methanimine;ethane

N-[(E)-but-2-en-2-yl]methanimine;ethane (PubChem CID 172575931) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]methanimine;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]methanimine;ethane
PubChem CID172575931
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN-[(E)-but-2-en-2-yl]methanimine;ethane
SMILESC=N/C(C)=C/C.CC
InChIInChI=1S/C5H9N.C2H6/c1-4-5(2)6-3;1-2/h4H,3H2,1-2H3;1-2H3/b5-4+;
InChIKeyAUTUHLLQFGANTP-FXRZFVDSSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]methanimine;ethane?
The IUPAC name of N-[(E)-but-2-en-2-yl]methanimine;ethane (CID 172575931) is N-[(E)-but-2-en-2-yl]methanimine;ethane.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]methanimine;ethane?
The canonical SMILES for N-[(E)-but-2-en-2-yl]methanimine;ethane is C=N/C(C)=C/C.CC.
What is the InChIKey of N-[(E)-but-2-en-2-yl]methanimine;ethane?
The InChIKey is AUTUHLLQFGANTP-FXRZFVDSSA-N. The full InChI is InChI=1S/C5H9N.C2H6/c1-4-5(2)6-3;1-2/h4H,3H2,1-2H3;1-2H3/b5-4+;.
What are the key properties of N-[(E)-but-2-en-2-yl]methanimine;ethane?
N-[(E)-but-2-en-2-yl]methanimine;ethane has a molecular weight of 113.20 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]methanimine;ethane is sourced from PubChem (CID 172575931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).