2-methylbut-2-ene;N-methylpropan-2-imine

C9H19N — CID 161325778

IUPAC2-methylbut-2-ene;N-methylpropan-2-imine
SMILESCC=C(C)C.CN=C(C)C
InChIInChI=1S/C5H10.C4H9N/c1-4-5(2)3;1-4(2)5-3/h4H,1-3H3;1-3H3
InChIKeyVKTCRQPODCJMJD-UHFFFAOYSA-N
MW141.26 g/mol
LogP3.07
Rot. Bonds

About 2-methylbut-2-ene;N-methylpropan-2-imine

2-methylbut-2-ene;N-methylpropan-2-imine (PubChem CID 161325778) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-methylbut-2-ene;N-methylpropan-2-imine.

Molecular Properties

Compound Name2-methylbut-2-ene;N-methylpropan-2-imine
PubChem CID161325778
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-methylbut-2-ene;N-methylpropan-2-imine
SMILESCC=C(C)C.CN=C(C)C
InChIInChI=1S/C5H10.C4H9N/c1-4-5(2)3;1-4(2)5-3/h4H,1-3H3;1-3H3
InChIKeyVKTCRQPODCJMJD-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene;N-methylpropan-2-imine?
The IUPAC name of 2-methylbut-2-ene;N-methylpropan-2-imine (CID 161325778) is 2-methylbut-2-ene;N-methylpropan-2-imine.
What is the SMILES notation for 2-methylbut-2-ene;N-methylpropan-2-imine?
The canonical SMILES for 2-methylbut-2-ene;N-methylpropan-2-imine is CC=C(C)C.CN=C(C)C.
What is the InChIKey of 2-methylbut-2-ene;N-methylpropan-2-imine?
The InChIKey is VKTCRQPODCJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H9N/c1-4-5(2)3;1-4(2)5-3/h4H,1-3H3;1-3H3.
What are the key properties of 2-methylbut-2-ene;N-methylpropan-2-imine?
2-methylbut-2-ene;N-methylpropan-2-imine has a molecular weight of 141.26 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene;N-methylpropan-2-imine is sourced from PubChem (CID 161325778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).