N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine

C9H15N — CID 88900845

IUPACN-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
SMILESC=C/C(C)=N/C=C(\C)CC
InChIInChI=1S/C9H15N/c1-5-8(3)7-10-9(4)6-2/h6-7H,2,5H2,1,3-4H3/b8-7+,10-9+
InChIKeyZFJQUMBHZIIGGT-XBLVEGMJSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine

N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine (PubChem CID 88900845) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine.

Molecular Properties

Compound NameN-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
PubChem CID88900845
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
SMILESC=C/C(C)=N/C=C(\C)CC
InChIInChI=1S/C9H15N/c1-5-8(3)7-10-9(4)6-2/h6-7H,2,5H2,1,3-4H3/b8-7+,10-9+
InChIKeyZFJQUMBHZIIGGT-XBLVEGMJSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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)-2-methylbut-1-enyl]but-3-en-2-imine?
The IUPAC name of N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine (CID 88900845) is N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine.
What is the SMILES notation for N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine?
The canonical SMILES for N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine is C=C/C(C)=N/C=C(\C)CC.
What is the InChIKey of N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine?
The InChIKey is ZFJQUMBHZIIGGT-XBLVEGMJSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8(3)7-10-9(4)6-2/h6-7H,2,5H2,1,3-4H3/b8-7+,10-9+.
What are the key properties of N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine?
N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine is sourced from PubChem (CID 88900845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).