2-[(Z)-2-methylbut-1-enyl]iminoethanamine

C7H14N2 — CID 155484688

IUPAC2-[(Z)-2-methylbut-1-enyl]iminoethanamine
SMILESCC/C(C)=C\N=C\CN
InChIInChI=1S/C7H14N2/c1-3-7(2)6-9-5-4-8/h5-6H,3-4,8H2,1-2H3/b7-6-,9-5+
InChIKeyMEEFWTNKFBQIDK-QRLJIZSYSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds3

About 2-[(Z)-2-methylbut-1-enyl]iminoethanamine

2-[(Z)-2-methylbut-1-enyl]iminoethanamine (PubChem CID 155484688) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-[(Z)-2-methylbut-1-enyl]iminoethanamine.

Molecular Properties

Compound Name2-[(Z)-2-methylbut-1-enyl]iminoethanamine
PubChem CID155484688
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-[(Z)-2-methylbut-1-enyl]iminoethanamine
SMILESCC/C(C)=C\N=C\CN
InChIInChI=1S/C7H14N2/c1-3-7(2)6-9-5-4-8/h5-6H,3-4,8H2,1-2H3/b7-6-,9-5+
InChIKeyMEEFWTNKFBQIDK-QRLJIZSYSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[(Z)-2-methylbut-1-enyl]iminoethanamine?
The IUPAC name of 2-[(Z)-2-methylbut-1-enyl]iminoethanamine (CID 155484688) is 2-[(Z)-2-methylbut-1-enyl]iminoethanamine.
What is the SMILES notation for 2-[(Z)-2-methylbut-1-enyl]iminoethanamine?
The canonical SMILES for 2-[(Z)-2-methylbut-1-enyl]iminoethanamine is CC/C(C)=C\N=C\CN.
What is the InChIKey of 2-[(Z)-2-methylbut-1-enyl]iminoethanamine?
The InChIKey is MEEFWTNKFBQIDK-QRLJIZSYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-7(2)6-9-5-4-8/h5-6H,3-4,8H2,1-2H3/b7-6-,9-5+.
What are the key properties of 2-[(Z)-2-methylbut-1-enyl]iminoethanamine?
2-[(Z)-2-methylbut-1-enyl]iminoethanamine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methylbut-1-enyl]iminoethanamine is sourced from PubChem (CID 155484688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).